N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine

C18H30N2 — CID 63631236

IUPACN'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CC1CCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-13-19-18(17-11-5-4-6-12-17)15-20(2)14-16-9-7-8-10-16/h4-6,11-12,16,18-19H,3,7-10,13-15H2,1-2H3
InChIKeyLBVRHBRPKBFQNW-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds8

About N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine

N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine (PubChem CID 63631236) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
PubChem CID63631236
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CC1CCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-13-19-18(17-11-5-4-6-12-17)15-20(2)14-16-9-7-8-10-16/h4-6,11-12,16,18-19H,3,7-10,13-15H2,1-2H3
InChIKeyLBVRHBRPKBFQNW-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62860142
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63468848
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 63468506
N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469072
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine
CID 64655436
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine (CID 63631236) is N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine is CCCNC(CN(C)CC1CCCC1)c1ccccc1.
What is the InChIKey of N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine?
The InChIKey is LBVRHBRPKBFQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-13-19-18(17-11-5-4-6-12-17)15-20(2)14-16-9-7-8-10-16/h4-6,11-12,16,18-19H,3,7-10,13-15H2,1-2H3.
What are the key properties of N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine?
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 8 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-phenyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 63631236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).