1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine

C17H30N2 — CID 142211003

IUPAC1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine
SMILESCNC(CNC(C)(C)CC(C)C)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-14(2)12-17(3,4)19-13-16(18-5)11-15-9-7-6-8-10-15/h6-10,14,16,18-19H,11-13H2,1-5H3
InChIKeyDWFULYNOHCTCSP-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.23
Rot. Bonds8

About 1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine

1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine (PubChem CID 142211003) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine
PubChem CID142211003
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine
SMILESCNC(CNC(C)(C)CC(C)C)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-14(2)12-17(3,4)19-13-16(18-5)11-15-9-7-6-8-10-15/h6-10,14,16,18-19H,11-13H2,1-5H3
InChIKeyDWFULYNOHCTCSP-UHFFFAOYSA-N
XLogP3.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine
CID 65132386
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
CID 105084518
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
(3S)-3-(methylamino)-4-phenylbutanenitrile;hydrochloride
CID 67248079
3-(methylamino)-4-phenylbutanenitrile;hydrochloride
CID 67248080
N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline
CID 86314144
N-methyl-1-phenylpropan-2-amine
CID 118309477
tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
CID 76601807
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
N-methyl-1-phenylhex-4-yn-2-amine
CID 62310382
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine (CID 142211003) is 1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine is CNC(CNC(C)(C)CC(C)C)Cc1ccccc1.
What is the InChIKey of 1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine?
The InChIKey is DWFULYNOHCTCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(2)12-17(3,4)19-13-16(18-5)11-15-9-7-6-8-10-15/h6-10,14,16,18-19H,11-13H2,1-5H3.
What are the key properties of 1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine?
1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 142211003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).