N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine

C17H30N2 — CID 62613776

IUPACN-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCNC(CCN(CC(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-14(2)13-19(15(3)4)12-11-17(18-5)16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3
InChIKeyPJEVIWXZNCVEHG-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.70
Rot. Bonds8

About N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine

N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62613776) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62613776
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCNC(CCN(CC(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-14(2)13-19(15(3)4)12-11-17(18-5)16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3
InChIKeyPJEVIWXZNCVEHG-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63493011
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 62613768
N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469072
N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 55094933
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768
N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82953260
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
1-(4-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493912
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine (CID 62613776) is N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine is CNC(CCN(CC(C)C)C(C)C)c1ccccc1.
What is the InChIKey of N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is PJEVIWXZNCVEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(2)13-19(15(3)4)12-11-17(18-5)16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3.
What are the key properties of N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62613776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).