1-(2,3-dimethylphenyl)pentan-1-imine

C13H19N — CID 57407840

IUPAC1-(2,3-dimethylphenyl)pentan-1-imine
SMILES[H]/N=C(\CCCC)c1cccc(C)c1C
InChIInChI=1S/C13H19N/c1-4-5-9-13(14)12-8-6-7-10(2)11(12)3/h6-8,14H,4-5,9H2,1-3H3/b14-13+
InChIKeyDVHYZPFTDHSTOP-BUHFOSPRSA-N
MW189.30 g/mol
LogP3.86
Rot. Bonds4

About 1-(2,3-dimethylphenyl)pentan-1-imine

1-(2,3-dimethylphenyl)pentan-1-imine (PubChem CID 57407840) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)pentan-1-imine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)pentan-1-imine
PubChem CID57407840
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(2,3-dimethylphenyl)pentan-1-imine
SMILES[H]/N=C(\CCCC)c1cccc(C)c1C
InChIInChI=1S/C13H19N/c1-4-5-9-13(14)12-8-6-7-10(2)11(12)3/h6-8,14H,4-5,9H2,1-3H3/b14-13+
InChIKeyDVHYZPFTDHSTOP-BUHFOSPRSA-N
XLogP3.86
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

butane;1-(2,3-dimethylphenyl)ethanimine
CID 177029537
1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine
CID 87493183
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
hexane;1,2,3-trimethylbenzene
CID 159405289
1-(3-fluorophenyl)pentan-1-imine
CID 125478638
1-methyl-2-(2-methylhept-2-en-3-yl)benzene
CID 142356923
butan-1-ol;1,2,3-trimethylbenzene
CID 174803565
1-(2-methyl-3-pyridinyl)butan-1-imine
CID 167446890
2,2-difluoro-1-(2-methylphenyl)ethanimine;pentanoic acid
CID 156722218
2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
1-(5,6,7,8,9,10,11,12-octahydrocyclonona[b]indol-4-yl)nonan-1-imine
CID 170099529
1-pyridin-3-ylpentan-1-imine
CID 19790330

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)pentan-1-imine?
The IUPAC name of 1-(2,3-dimethylphenyl)pentan-1-imine (CID 57407840) is 1-(2,3-dimethylphenyl)pentan-1-imine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)pentan-1-imine?
The canonical SMILES for 1-(2,3-dimethylphenyl)pentan-1-imine is [H]/N=C(\CCCC)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)pentan-1-imine?
The InChIKey is DVHYZPFTDHSTOP-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H19N/c1-4-5-9-13(14)12-8-6-7-10(2)11(12)3/h6-8,14H,4-5,9H2,1-3H3/b14-13+.
What are the key properties of 1-(2,3-dimethylphenyl)pentan-1-imine?
1-(2,3-dimethylphenyl)pentan-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)pentan-1-imine is sourced from PubChem (CID 57407840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).