4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine

C11H19N — CID 118487625

IUPAC4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine
SMILESCC(N)CCC1C=CC=CC1C
InChIInChI=1S/C11H19N/c1-9-5-3-4-6-11(9)8-7-10(2)12/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyLLRLPXCOHZVFQO-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.49
Rot. Bonds3

About 4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine

4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine (PubChem CID 118487625) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine
PubChem CID118487625
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine
SMILESCC(N)CCC1C=CC=CC1C
InChIInChI=1S/C11H19N/c1-9-5-3-4-6-11(9)8-7-10(2)12/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyLLRLPXCOHZVFQO-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine?
The IUPAC name of 4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine (CID 118487625) is 4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine.
What is the SMILES notation for 4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine?
The canonical SMILES for 4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine is CC(N)CCC1C=CC=CC1C.
What is the InChIKey of 4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine?
The InChIKey is LLRLPXCOHZVFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-5-3-4-6-11(9)8-7-10(2)12/h3-6,9-11H,7-8,12H2,1-2H3.
What are the key properties of 4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine?
4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylcyclohexa-2,4-dien-1-yl)butan-2-amine is sourced from PubChem (CID 118487625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).