N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine

C10H13N — CID 174873850

IUPACN-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine
SMILESC=C1C=CC=CC1NC1CC1
InChIInChI=1S/C10H13N/c1-8-4-2-3-5-10(8)11-9-6-7-9/h2-5,9-11H,1,6-7H2
InChIKeyYXOVAXTXARTYNI-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.79
Rot. Bonds2

About N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine

N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine (PubChem CID 174873850) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine
PubChem CID174873850
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine
SMILESC=C1C=CC=CC1NC1CC1
InChIInChI=1S/C10H13N/c1-8-4-2-3-5-10(8)11-9-6-7-9/h2-5,9-11H,1,6-7H2
InChIKeyYXOVAXTXARTYNI-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine?
The IUPAC name of N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine (CID 174873850) is N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine is C=C1C=CC=CC1NC1CC1.
What is the InChIKey of N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine?
The InChIKey is YXOVAXTXARTYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-4-2-3-5-10(8)11-9-6-7-9/h2-5,9-11H,1,6-7H2.
What are the key properties of N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine?
N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine has a molecular weight of 147.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 174873850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).