N-prop-2-enylcyclohexa-2,4-dien-1-amine

C9H13N — CID 12809262

IUPACN-prop-2-enylcyclohexa-2,4-dien-1-amine
SMILESC=CCNC1C=CC=CC1
InChIInChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h2-6,9-10H,1,7-8H2
InChIKeyXEBXYDHBWSVDIM-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.65
Rot. Bonds3

About N-prop-2-enylcyclohexa-2,4-dien-1-amine

N-prop-2-enylcyclohexa-2,4-dien-1-amine (PubChem CID 12809262) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-prop-2-enylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-prop-2-enylcyclohexa-2,4-dien-1-amine
PubChem CID12809262
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-prop-2-enylcyclohexa-2,4-dien-1-amine
SMILESC=CCNC1C=CC=CC1
InChIInChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h2-6,9-10H,1,7-8H2
InChIKeyXEBXYDHBWSVDIM-UHFFFAOYSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-prop-2-enylcyclohexa-2,4-dien-1-amine (CID 12809262) is N-prop-2-enylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-prop-2-enylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-prop-2-enylcyclohexa-2,4-dien-1-amine is C=CCNC1C=CC=CC1.
What is the InChIKey of N-prop-2-enylcyclohexa-2,4-dien-1-amine?
The InChIKey is XEBXYDHBWSVDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h2-6,9-10H,1,7-8H2.
What are the key properties of N-prop-2-enylcyclohexa-2,4-dien-1-amine?
N-prop-2-enylcyclohexa-2,4-dien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 12809262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).