3-N-(4-methylphenyl)cyclopentane-1,3-diamine

C12H18N2 — CID 79461968

IUPAC3-N-(4-methylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(NC2CCC(N)C2)cc1
InChIInChI=1S/C12H18N2/c1-9-2-5-11(6-3-9)14-12-7-4-10(13)8-12/h2-3,5-6,10,12,14H,4,7-8,13H2,1H3
InChIKeyBQIFPAQUJOPMBK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.29
Rot. Bonds2

About 3-N-(4-methylphenyl)cyclopentane-1,3-diamine

3-N-(4-methylphenyl)cyclopentane-1,3-diamine (PubChem CID 79461968) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-N-(4-methylphenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-methylphenyl)cyclopentane-1,3-diamine
PubChem CID79461968
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-N-(4-methylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(NC2CCC(N)C2)cc1
InChIInChI=1S/C12H18N2/c1-9-2-5-11(6-3-9)14-12-7-4-10(13)8-12/h2-3,5-6,10,12,14H,4,7-8,13H2,1H3
InChIKeyBQIFPAQUJOPMBK-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine
CID 178138504
3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine
CID 79462759
3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
CID 79462820
3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine
CID 79461969
3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
CID 79462336
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine
CID 79462709
3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine
CID 81260171
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide
CID 79461446
3-N-[4-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
CID 79462927
N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide
CID 79458470
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methylphenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(4-methylphenyl)cyclopentane-1,3-diamine (CID 79461968) is 3-N-(4-methylphenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(4-methylphenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(4-methylphenyl)cyclopentane-1,3-diamine is Cc1ccc(NC2CCC(N)C2)cc1.
What is the InChIKey of 3-N-(4-methylphenyl)cyclopentane-1,3-diamine?
The InChIKey is BQIFPAQUJOPMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-2-5-11(6-3-9)14-12-7-4-10(13)8-12/h2-3,5-6,10,12,14H,4,7-8,13H2,1H3.
What are the key properties of 3-N-(4-methylphenyl)cyclopentane-1,3-diamine?
3-N-(4-methylphenyl)cyclopentane-1,3-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methylphenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).