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

C10H17N — CID 69085976

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine
SMILESCC(N)CC1(C)C=CC=CC1
InChIInChI=1S/C10H17N/c1-9(11)8-10(2)6-4-3-5-7-10/h3-6,9H,7-8,11H2,1-2H3
InChIKeyOFSDLMHDSJGDJN-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds2

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

1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine (PubChem CID 69085976) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine
PubChem CID69085976
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine
SMILESCC(N)CC1(C)C=CC=CC1
InChIInChI=1S/C10H17N/c1-9(11)8-10(2)6-4-3-5-7-10/h3-6,9H,7-8,11H2,1-2H3
InChIKeyOFSDLMHDSJGDJN-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
The IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine (CID 69085976) is 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine.
What is the SMILES notation for 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
The canonical SMILES for 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine is CC(N)CC1(C)C=CC=CC1.
What is the InChIKey of 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
The InChIKey is OFSDLMHDSJGDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(11)8-10(2)6-4-3-5-7-10/h3-6,9H,7-8,11H2,1-2H3.
What are the key properties of 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-amine is sourced from PubChem (CID 69085976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).