2-propylcyclohepta-1,3,6-trien-1-amine

C10H15N — CID 66792376

IUPAC2-propylcyclohepta-1,3,6-trien-1-amine
SMILESCCCC1=C(N)C=CCC=C1
InChIInChI=1S/C10H15N/c1-2-6-9-7-4-3-5-8-10(9)11/h4-5,7-8H,2-3,6,11H2,1H3
InChIKeyGCGZFVIDGUCXAP-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.52
Rot. Bonds2

About 2-propylcyclohepta-1,3,6-trien-1-amine

2-propylcyclohepta-1,3,6-trien-1-amine (PubChem CID 66792376) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-propylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name2-propylcyclohepta-1,3,6-trien-1-amine
PubChem CID66792376
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-propylcyclohepta-1,3,6-trien-1-amine
SMILESCCCC1=C(N)C=CCC=C1
InChIInChI=1S/C10H15N/c1-2-6-9-7-4-3-5-8-10(9)11/h4-5,7-8H,2-3,6,11H2,1H3
InChIKeyGCGZFVIDGUCXAP-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 2-propylcyclohepta-1,3,6-trien-1-amine (CID 66792376) is 2-propylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 2-propylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 2-propylcyclohepta-1,3,6-trien-1-amine is CCCC1=C(N)C=CCC=C1.
What is the InChIKey of 2-propylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is GCGZFVIDGUCXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-6-9-7-4-3-5-8-10(9)11/h4-5,7-8H,2-3,6,11H2,1H3.
What are the key properties of 2-propylcyclohepta-1,3,6-trien-1-amine?
2-propylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 66792376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).