2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine

C13H20N2 — CID 130349201

IUPAC2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine
SMILESNC1=C(C(N)C2=CCCCC2)CCC=C1
InChIInChI=1S/C13H20N2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h5-6,9,13H,1-4,7-8,14-15H2
InChIKeyFMXGYDYQJSEMLR-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.38
Rot. Bonds2

About 2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine

2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine (PubChem CID 130349201) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine
PubChem CID130349201
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine
SMILESNC1=C(C(N)C2=CCCCC2)CCC=C1
InChIInChI=1S/C13H20N2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h5-6,9,13H,1-4,7-8,14-15H2
InChIKeyFMXGYDYQJSEMLR-UHFFFAOYSA-N
XLogP2.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine (CID 130349201) is 2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine is NC1=C(C(N)C2=CCCCC2)CCC=C1.
What is the InChIKey of 2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is FMXGYDYQJSEMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h5-6,9,13H,1-4,7-8,14-15H2.
What are the key properties of 2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine?
2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclohexen-1-yl)methyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 130349201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).