N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine

C11H17N — CID 88997056

IUPACN-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESC=CNC1=CC=C(C(C)C)CC1
InChIInChI=1S/C11H17N/c1-4-12-11-7-5-10(6-8-11)9(2)3/h4-5,7,9,12H,1,6,8H2,2-3H3
InChIKeyBCXQWRMWLDRWSG-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.98
Rot. Bonds3

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

N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine (PubChem CID 88997056) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
PubChem CID88997056
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESC=CNC1=CC=C(C(C)C)CC1
InChIInChI=1S/C11H17N/c1-4-12-11-7-5-10(6-8-11)9(2)3/h4-5,7,9,12H,1,6,8H2,2-3H3
InChIKeyBCXQWRMWLDRWSG-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine (CID 88997056) is N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine is C=CNC1=CC=C(C(C)C)CC1.
What is the InChIKey of N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is BCXQWRMWLDRWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-12-11-7-5-10(6-8-11)9(2)3/h4-5,7,9,12H,1,6,8H2,2-3H3.
What are the key properties of N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 88997056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).