1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine

C16H28N2 — CID 62417488

IUPAC1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1ccc(CN(C)C(C)CNC(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-13-7-9-15(10-8-13)12-18(6)14(2)11-17-16(3,4)5/h7-10,14,17H,11-12H2,1-6H3
InChIKeyVEQBPDYSOLOXRF-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.20
Rot. Bonds5

About 1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine

1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine (PubChem CID 62417488) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
PubChem CID62417488
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1ccc(CN(C)C(C)CNC(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-13-7-9-15(10-8-13)12-18(6)14(2)11-17-16(3,4)5/h7-10,14,17H,11-12H2,1-6H3
InChIKeyVEQBPDYSOLOXRF-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62413585
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62558539
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535
2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
CID 62424737
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62432288
N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
CID 105346680
2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
CID 55070048
3-N,2-dimethyl-3-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,3-diamine
CID 79414500
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 60851524

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine (CID 62417488) is 1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine is Cc1ccc(CN(C)C(C)CNC(C)(C)C)cc1.
What is the InChIKey of 1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine?
The InChIKey is VEQBPDYSOLOXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13-7-9-15(10-8-13)12-18(6)14(2)11-17-16(3,4)5/h7-10,14,17H,11-12H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine?
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 62417488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).