N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine

C17H30N2 — CID 62613768

IUPACN'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
SMILESCNC(CCN(C)C(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-14(17(2,3)4)19(6)13-12-16(18-5)15-10-8-7-9-11-15/h7-11,14,16,18H,12-13H2,1-6H3
InChIKeyUTEDHHBREWICMI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.70
Rot. Bonds6

About N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine

N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine (PubChem CID 62613768) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
PubChem CID62613768
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
SMILESCNC(CCN(C)C(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-14(17(2,3)4)19(6)13-12-16(18-5)15-10-8-7-9-11-15/h7-11,14,16,18H,12-13H2,1-6H3
InChIKeyUTEDHHBREWICMI-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(4-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62645380
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62630282
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 55090461
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 55094933
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 63469443
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
CID 62612456
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630281
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine (CID 62613768) is N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine is CNC(CCN(C)C(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is UTEDHHBREWICMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(17(2,3)4)19(6)13-12-16(18-5)15-10-8-7-9-11-15/h7-11,14,16,18H,12-13H2,1-6H3.
What are the key properties of N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62613768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).