N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine

C17H28N2 — CID 61481667

IUPACN'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine
SMILESCc1ccc(C)c(CN(CCCN)C2CCCC2)c1
InChIInChI=1S/C17H28N2/c1-14-8-9-15(2)16(12-14)13-19(11-5-10-18)17-6-3-4-7-17/h8-9,12,17H,3-7,10-11,13,18H2,1-2H3
InChIKeyMZVQMDQWXONASW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.40
Rot. Bonds6

About N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine

N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine (PubChem CID 61481667) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine
PubChem CID61481667
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine
SMILESCc1ccc(C)c(CN(CCCN)C2CCCC2)c1
InChIInChI=1S/C17H28N2/c1-14-8-9-15(2)16(12-14)13-19(11-5-10-18)17-6-3-4-7-17/h8-9,12,17H,3-7,10-11,13,18H2,1-2H3
InChIKeyMZVQMDQWXONASW-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine
CID 63388091
3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
CID 106869320
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
CID 82976860
3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860571
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine
CID 102860764
N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
CID 62504725
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine (CID 61481667) is N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine is Cc1ccc(C)c(CN(CCCN)C2CCCC2)c1.
What is the InChIKey of N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine?
The InChIKey is MZVQMDQWXONASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-8-9-15(2)16(12-14)13-19(11-5-10-18)17-6-3-4-7-17/h8-9,12,17H,3-7,10-11,13,18H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine?
N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 61481667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).