N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine

C17H28N2 — CID 63656962

IUPACN'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine
SMILESCN(CCCC(N)c1ccccc1)CC1CCCC1
InChIInChI=1S/C17H28N2/c1-19(14-15-8-5-6-9-15)13-7-12-17(18)16-10-3-2-4-11-16/h2-4,10-11,15,17H,5-9,12-14,18H2,1H3
InChIKeyIDUFEMZNAIMEIQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.59
Rot. Bonds7

About N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine

N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine (PubChem CID 63656962) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine
PubChem CID63656962
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine
SMILESCN(CCCC(N)c1ccccc1)CC1CCCC1
InChIInChI=1S/C17H28N2/c1-19(14-15-8-5-6-9-15)13-7-12-17(18)16-10-3-2-4-11-16/h2-4,10-11,15,17H,5-9,12-14,18H2,1H3
InChIKeyIDUFEMZNAIMEIQ-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
CID 63859842
N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236
4-cyclopentyl-1-phenylbutan-1-amine
CID 64504653
N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine
CID 63321929
N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 63321985
4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
CID 63324123
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
CID 55258829
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine
CID 81322135
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine (CID 63656962) is N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine is CN(CCCC(N)c1ccccc1)CC1CCCC1.
What is the InChIKey of N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine?
The InChIKey is IDUFEMZNAIMEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-19(14-15-8-5-6-9-15)13-7-12-17(18)16-10-3-2-4-11-16/h2-4,10-11,15,17H,5-9,12-14,18H2,1H3.
What are the key properties of N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine?
N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine is sourced from PubChem (CID 63656962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).