N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine

C11H19N — CID 139331985

IUPACN,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=C(C(C)C)C(C)C1
InChIInChI=1S/C11H19N/c1-8(2)11-6-5-10(12-4)7-9(11)3/h5-6,8-9,12H,7H2,1-4H3
InChIKeyOFGXJEANLCZEFT-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.71
Rot. Bonds2

About N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine

N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine (PubChem CID 139331985) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
PubChem CID139331985
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=C(C(C)C)C(C)C1
InChIInChI=1S/C11H19N/c1-8(2)11-6-5-10(12-4)7-9(11)3/h5-6,8-9,12H,7H2,1-4H3
InChIKeyOFGXJEANLCZEFT-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine (CID 139331985) is N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine is CNC1=CC=C(C(C)C)C(C)C1.
What is the InChIKey of N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is OFGXJEANLCZEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)11-6-5-10(12-4)7-9(11)3/h5-6,8-9,12H,7H2,1-4H3.
What are the key properties of N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 139331985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).