2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine

C11H19N — CID 91318573

IUPAC2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine
SMILESCC1=CC=C(C(N)C(C)C)CC1
InChIInChI=1S/C11H19N/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4,6,8,11H,5,7,12H2,1-3H3
InChIKeyOGVKJBYKQIKRPO-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine

2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine (PubChem CID 91318573) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine
PubChem CID91318573
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine
SMILESCC1=CC=C(C(N)C(C)C)CC1
InChIInChI=1S/C11H19N/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4,6,8,11H,5,7,12H2,1-3H3
InChIKeyOGVKJBYKQIKRPO-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine (CID 91318573) is 2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine is CC1=CC=C(C(N)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine?
The InChIKey is OGVKJBYKQIKRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4,6,8,11H,5,7,12H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine?
2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine is sourced from PubChem (CID 91318573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).