1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine

C17H28N2 — CID 62558539

IUPAC1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1ccc(CN(C)C(C)CNC2CCCC2)cc1
InChIInChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)13-19(3)15(2)12-18-17-6-4-5-7-17/h8-11,15,17-18H,4-7,12-13H2,1-3H3
InChIKeyIVZWBZMEXKZLOE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.35
Rot. Bonds6

About 1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine

1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine (PubChem CID 62558539) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
PubChem CID62558539
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1ccc(CN(C)C(C)CNC2CCCC2)cc1
InChIInChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)13-19(3)15(2)12-18-17-6-4-5-7-17/h8-11,15,17-18H,4-7,12-13H2,1-3H3
InChIKeyIVZWBZMEXKZLOE-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopentyl-2-N-methyl-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 62569436
1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 83043630
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087963
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
1-N-cyclopentyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
CID 62568294
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine (CID 62558539) is 1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine is Cc1ccc(CN(C)C(C)CNC2CCCC2)cc1.
What is the InChIKey of 1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine?
The InChIKey is IVZWBZMEXKZLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)13-19(3)15(2)12-18-17-6-4-5-7-17/h8-11,15,17-18H,4-7,12-13H2,1-3H3.
What are the key properties of 1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine?
1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 62558539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).