N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine

C76H127N7 — CID 167537302

About N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine

N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine (PubChem CID 167537302) has the molecular formula C76H127N7 and a molecular weight of 1138.90 g/mol. Its IUPAC name is N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

• Compound Name: N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
• PubChem CID: 167537302
• Molecular Formula: C76H127N7
• Molecular Weight: 1138.90 g/mol
• Exact Mass: 1138.02
• IUPAC Name: N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
• SMILES: CC.CCN1CCN(C(C)C)CC1.Cc1ccc(C2(NC(C)(C)C)CC2)cc1.Cc1ccc(C2(NC(C)(C)C)CC2)cc1.Cc1ccc(NC(C)(C)C)cc1.Cc1ccc([C@@H](C)NC(C)(C)C)cc1.Cc1ccc([C@H](C)NC(C)(C)C)cc1
• InChI: InChI=1S/2C14H21N.2C13H21N.C11H17N.C9H20N2.C2H6/c2*1-11-5-7-12(8-6-11)14(9-10-14)15-13(2,3)4;2*1-10-6-8-12(9-7-10)11(2)14-13(3,4)5;1-9-5-7-10(8-6-9)12-11(2,3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-2/h2*5-8,15H,9-10H2,1-4H3;2*6-9,11,14H,1-5H3;5-8,12H,1-4H3;9H,4-8H2,1-3H3;1-2H3/t;;2*11-;;;/m..10.../s1
• InChIKey: ASHYQBXIHLHDMC-OZJDQSPESA-N
• XLogP: 18.90
• TPSA: 66.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1138.90
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine?

The IUPAC name of N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine (CID 167537302) is N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine.

What is the SMILES notation for N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine?

The canonical SMILES for N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine is CC.CCN1CCN(C(C)C)CC1.Cc1ccc(C2(NC(C)(C)C)CC2)cc1.Cc1ccc(C2(NC(C)(C)C)CC2)cc1.Cc1ccc(NC(C)(C)C)cc1.Cc1ccc([C@@H](C)NC(C)(C)C)cc1.Cc1ccc([C@H](C)NC(C)(C)C)cc1.

What is the InChIKey of N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine?

The InChIKey is ASHYQBXIHLHDMC-OZJDQSPESA-N. The full InChI is InChI=1S/2C14H21N.2C13H21N.C11H17N.C9H20N2.C2H6/c2*1-11-5-7-12(8-6-11)14(9-10-14)15-13(2,3)4;2*1-10-6-8-12(9-7-10)11(2)14-13(3,4)5;1-9-5-7-10(8-6-9)12-11(2,3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-2/h2*5-8,15H,9-10H2,1-4H3;2*6-9,11,14H,1-5H3;5-8,12H,1-4H3;9H,4-8H2,1-3H3;1-2H3/t;;2*11-;;;/m..10.../s1.

What are the key properties of N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine?

N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine has a molecular weight of 1138.90 g/mol, XLogP of 18.90, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 167537302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).