N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine

C17H30N2 — CID 115252631

IUPACN'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCc1ccc(C(C)(C)CNCC(CN)C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-13(2)15(10-18)11-19-12-17(4,5)16-8-6-14(3)7-9-16/h6-9,13,15,19H,10-12,18H2,1-5H3
InChIKeyAKGVLGFCNFSAHA-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.09
Rot. Bonds7

About N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine

N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252631) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252631
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCc1ccc(C(C)(C)CNCC(CN)C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-13(2)15(10-18)11-19-12-17(4,5)16-8-6-14(3)7-9-16/h6-9,13,15,19H,10-12,18H2,1-5H3
InChIKeyAKGVLGFCNFSAHA-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115241899
2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
CID 115198955
3-methyl-1-N-[2-methyl-2-(4-methylphenyl)propyl]butane-1,3-diamine
CID 115200921
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120181
2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
CID 115256315
N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115716554
N-tert-butyl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 62595544
2-methyl-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115220963
N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115216004
4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanenitrile
CID 115232104
2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115251783
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115249649

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine (CID 115252631) is N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine is Cc1ccc(C(C)(C)CNCC(CN)C(C)C)cc1.
What is the InChIKey of N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is AKGVLGFCNFSAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)15(10-18)11-19-12-17(4,5)16-8-6-14(3)7-9-16/h6-9,13,15,19H,10-12,18H2,1-5H3.
What are the key properties of N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).