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

C17H30N2 — CID 62617394

IUPACN'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
SMILESCC(CN(C)C(C)C(C)(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-13(12-19(6)14(2)17(3,4)5)16(18)15-10-8-7-9-11-15/h7-11,13-14,16H,12,18H2,1-6H3
InChIKeyACLPNIGUSYBMQI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.69
Rot. Bonds5

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

N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine (PubChem CID 62617394) 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',2-dimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
PubChem CID62617394
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
SMILESCC(CN(C)C(C)C(C)(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-13(12-19(6)14(2)17(3,4)5)16(18)15-10-8-7-9-11-15/h7-11,13-14,16H,12,18H2,1-6H3
InChIKeyACLPNIGUSYBMQI-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 55090461
1-N-(3,3-dimethylbutan-2-yl)-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929647
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 55011123
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine
CID 103934582
N'-methyl-N'-(2-methylpropyl)-1,2-diphenylethane-1,2-diamine
CID 43272040
N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62619815
2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
CID 43295709

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine (CID 62617394) is N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine is CC(CN(C)C(C)C(C)(C)C)C(N)c1ccccc1.
What is the InChIKey of N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is ACLPNIGUSYBMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(12-19(6)14(2)17(3,4)5)16(18)15-10-8-7-9-11-15/h7-11,13-14,16H,12,18H2,1-6H3.
What are the key properties of N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine?
N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.69, 5 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',2-dimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62617394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).