5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine

C14H22N2 — CID 107411178

IUPAC5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine
SMILESCc1cc(N)cc(NCC2CCC(C)C2)c1
InChIInChI=1S/C14H22N2/c1-10-3-4-12(5-10)9-16-14-7-11(2)6-13(15)8-14/h6-8,10,12,16H,3-5,9,15H2,1-2H3
InChIKeyUXBZMPATXHPVPH-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.43
Rot. Bonds3

About 5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine

5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine (PubChem CID 107411178) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine
PubChem CID107411178
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine
SMILESCc1cc(N)cc(NCC2CCC(C)C2)c1
InChIInChI=1S/C14H22N2/c1-10-3-4-12(5-10)9-16-14-7-11(2)6-13(15)8-14/h6-8,10,12,16H,3-5,9,15H2,1-2H3
InChIKeyUXBZMPATXHPVPH-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine?
The IUPAC name of 5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine (CID 107411178) is 5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine is Cc1cc(N)cc(NCC2CCC(C)C2)c1.
What is the InChIKey of 5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine?
The InChIKey is UXBZMPATXHPVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-3-4-12(5-10)9-16-14-7-11(2)6-13(15)8-14/h6-8,10,12,16H,3-5,9,15H2,1-2H3.
What are the key properties of 5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine?
5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 107411178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).