4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine

C12H17N3 — CID 65172043

IUPAC4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine
SMILESNc1cc(CC2=CC(N)CCC2)ccn1
InChIInChI=1S/C12H17N3/c13-11-3-1-2-9(7-11)6-10-4-5-15-12(14)8-10/h4-5,7-8,11H,1-3,6,13H2,(H2,14,15)
InChIKeyRMTBWYRTLFPEJO-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.64
Rot. Bonds2

About 4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine

4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine (PubChem CID 65172043) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine
PubChem CID65172043
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine
SMILESNc1cc(CC2=CC(N)CCC2)ccn1
InChIInChI=1S/C12H17N3/c13-11-3-1-2-9(7-11)6-10-4-5-15-12(14)8-10/h4-5,7-8,11H,1-3,6,13H2,(H2,14,15)
InChIKeyRMTBWYRTLFPEJO-UHFFFAOYSA-N
XLogP1.64
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine (CID 65172043) is 4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine is Nc1cc(CC2=CC(N)CCC2)ccn1.
What is the InChIKey of 4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine?
The InChIKey is RMTBWYRTLFPEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c13-11-3-1-2-9(7-11)6-10-4-5-15-12(14)8-10/h4-5,7-8,11H,1-3,6,13H2,(H2,14,15).
What are the key properties of 4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine?
4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclohexen-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 65172043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).