N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine

C16H26N2 — CID 62618384

IUPACN'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
SMILESCC(CN(C)C1CCCC1)C(N)c1ccccc1
InChIInChI=1S/C16H26N2/c1-13(12-18(2)15-10-6-7-11-15)16(17)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12,17H2,1-2H3
InChIKeyGGSVGLHGFWMDHK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds5

About N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine

N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine (PubChem CID 62618384) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
PubChem CID62618384
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
SMILESCC(CN(C)C1CCCC1)C(N)c1ccccc1
InChIInChI=1S/C16H26N2/c1-13(12-18(2)15-10-6-7-11-15)16(17)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12,17H2,1-2H3
InChIKeyGGSVGLHGFWMDHK-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 107399437
N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
CID 64521866
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide
CID 119878746
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617394
1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929489
(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine
CID 104873486
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 30113844

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine (CID 62618384) is N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine is CC(CN(C)C1CCCC1)C(N)c1ccccc1.
What is the InChIKey of N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is GGSVGLHGFWMDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(12-18(2)15-10-6-7-11-15)16(17)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12,17H2,1-2H3.
What are the key properties of N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine?
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62618384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).