2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine

C17H30N2 — CID 61377500

IUPAC2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine
SMILESCC(C)CN(CC(C)C)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-13(2)11-19(12-14(3)4)15(5)17(18)16-9-7-6-8-10-16/h6-10,13-15,17H,11-12,18H2,1-5H3
InChIKeyGQULXOZRFHZSNF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.69
Rot. Bonds7

About 2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine

2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine (PubChem CID 61377500) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine
PubChem CID61377500
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine
SMILESCC(C)CN(CC(C)C)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-13(2)11-19(12-14(3)4)15(5)17(18)16-9-7-6-8-10-16/h6-10,13-15,17H,11-12,18H2,1-5H3
InChIKeyGQULXOZRFHZSNF-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

2-N-ethyl-2-N-(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 43273646
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
N'-methyl-N'-(2-methylpropyl)-1,2-diphenylethane-1,2-diamine
CID 43272040
(1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 30815552
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
2,6-dimethyl-1-phenylheptan-1-amine
CID 104845216
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine (CID 61377500) is 2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine is CC(C)CN(CC(C)C)C(C)C(N)c1ccccc1.
What is the InChIKey of 2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine?
The InChIKey is GQULXOZRFHZSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)11-19(12-14(3)4)15(5)17(18)16-9-7-6-8-10-16/h6-10,13-15,17H,11-12,18H2,1-5H3.
What are the key properties of 2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine?
2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 61377500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).