3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine

C14H23N3 — CID 79462759

IUPAC3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine
SMILESCN(C)Cc1ccc(NC2CCC(N)C2)cc1
InChIInChI=1S/C14H23N3/c1-17(2)10-11-3-6-13(7-4-11)16-14-8-5-12(15)9-14/h3-4,6-7,12,14,16H,5,8-10,15H2,1-2H3
InChIKeyCUYAOCVOSDNLAH-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.04
Rot. Bonds4

About 3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine

3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine (PubChem CID 79462759) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine
PubChem CID79462759
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine
SMILESCN(C)Cc1ccc(NC2CCC(N)C2)cc1
InChIInChI=1S/C14H23N3/c1-17(2)10-11-3-6-13(7-4-11)16-14-8-5-12(15)9-14/h3-4,6-7,12,14,16H,5,8-10,15H2,1-2H3
InChIKeyCUYAOCVOSDNLAH-UHFFFAOYSA-N
XLogP2.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[(dimethylamino)methyl]aniline
CID 43747284
3-N-(4-methylphenyl)cyclopentane-1,3-diamine
CID 79461968
4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline
CID 64753180
N-[4-[(dimethylamino)methyl]phenyl]thian-4-amine
CID 43747361
trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine
CID 178138504
2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol
CID 79458778
3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
CID 79461364
1-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexane-1,3-diamine
CID 79458843
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine
CID 115149662

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine (CID 79462759) is 3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine is CN(C)Cc1ccc(NC2CCC(N)C2)cc1.
What is the InChIKey of 3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine?
The InChIKey is CUYAOCVOSDNLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17(2)10-11-3-6-13(7-4-11)16-14-8-5-12(15)9-14/h3-4,6-7,12,14,16H,5,8-10,15H2,1-2H3.
What are the key properties of 3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine?
3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79462759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).