5-cyclopropylcyclohepta-1,4,6-trien-1-amine

C10H13N — CID 138489498

IUPAC5-cyclopropylcyclohepta-1,4,6-trien-1-amine
SMILESNC1=CCC=C(C2CC2)C=C1
InChIInChI=1S/C10H13N/c11-10-3-1-2-8(6-7-10)9-4-5-9/h2-3,6-7,9H,1,4-5,11H2
InChIKeyQZEXZUSEFLMQRL-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.13
Rot. Bonds1

About 5-cyclopropylcyclohepta-1,4,6-trien-1-amine

5-cyclopropylcyclohepta-1,4,6-trien-1-amine (PubChem CID 138489498) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 5-cyclopropylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name5-cyclopropylcyclohepta-1,4,6-trien-1-amine
PubChem CID138489498
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name5-cyclopropylcyclohepta-1,4,6-trien-1-amine
SMILESNC1=CCC=C(C2CC2)C=C1
InChIInChI=1S/C10H13N/c11-10-3-1-2-8(6-7-10)9-4-5-9/h2-3,6-7,9H,1,4-5,11H2
InChIKeyQZEXZUSEFLMQRL-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 5-cyclopropylcyclohepta-1,4,6-trien-1-amine (CID 138489498) is 5-cyclopropylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 5-cyclopropylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 5-cyclopropylcyclohepta-1,4,6-trien-1-amine is NC1=CCC=C(C2CC2)C=C1.
What is the InChIKey of 5-cyclopropylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is QZEXZUSEFLMQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c11-10-3-1-2-8(6-7-10)9-4-5-9/h2-3,6-7,9H,1,4-5,11H2.
What are the key properties of 5-cyclopropylcyclohepta-1,4,6-trien-1-amine?
5-cyclopropylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 147.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 138489498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).