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

C16H28N2 — CID 55017229

IUPAC1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine
SMILESCC(C)CC(C)N(C)C(c1ccccc1)C(C)N
InChIInChI=1S/C16H28N2/c1-12(2)11-13(3)18(5)16(14(4)17)15-9-7-6-8-10-15/h6-10,12-14,16H,11,17H2,1-5H3
InChIKeyLQFODVAIMZCOOP-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.44
Rot. Bonds6

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

1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine (PubChem CID 55017229) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine
PubChem CID55017229
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine
SMILESCC(C)CC(C)N(C)C(c1ccccc1)C(C)N
InChIInChI=1S/C16H28N2/c1-12(2)11-13(3)18(5)16(14(4)17)15-9-7-6-8-10-15/h6-10,12-14,16H,11,17H2,1-5H3
InChIKeyLQFODVAIMZCOOP-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine
CID 63404525
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713
N'-methyl-1,2-diphenyl-N'-propan-2-ylethane-1,2-diamine
CID 43211370
N'-methyl-N'-(2-methylpropyl)-1,2-diphenylethane-1,2-diamine
CID 43272040
1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
CID 82960381
(2-amino-1-phenylpropyl)-carbamoylcarbamic acid
CID 175172899
1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55142037
1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 55015882
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
1-(2-bromophenyl)-1-N-butan-2-yl-1-N-methylpropane-1,2-diamine
CID 55022779

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine (CID 55017229) is 1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine is CC(C)CC(C)N(C)C(c1ccccc1)C(C)N.
What is the InChIKey of 1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine?
The InChIKey is LQFODVAIMZCOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)11-13(3)18(5)16(14(4)17)15-9-7-6-8-10-15/h6-10,12-14,16H,11,17H2,1-5H3.
What are the key properties of 1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine?
1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 55017229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).