3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine

C13H19N3 — CID 116661348

IUPAC3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine
SMILESNc1ccncc1C(N)CC1=CCCCC1
InChIInChI=1S/C13H19N3/c14-12-6-7-16-9-11(12)13(15)8-10-4-2-1-3-5-10/h4,6-7,9,13H,1-3,5,8,15H2,(H2,14,16)
InChIKeyDYAFSNHMGNHMSL-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.55
Rot. Bonds3

About 3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine

3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine (PubChem CID 116661348) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine
PubChem CID116661348
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine
SMILESNc1ccncc1C(N)CC1=CCCCC1
InChIInChI=1S/C13H19N3/c14-12-6-7-16-9-11(12)13(15)8-10-4-2-1-3-5-10/h4,6-7,9,13H,1-3,5,8,15H2,(H2,14,16)
InChIKeyDYAFSNHMGNHMSL-UHFFFAOYSA-N
XLogP2.55
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine
CID 116662156
2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine
CID 116661377
2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine
CID 116661300
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine
CID 55293108
3-amino-3-(4-amino-3-pyridinyl)propanamide
CID 55255993
cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 106654753
2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine
CID 116661260
2-(cyclohexen-1-yl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114689134
2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine
CID 116661175
2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol
CID 116660155
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 116661110

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine?
The IUPAC name of 3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine (CID 116661348) is 3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine is Nc1ccncc1C(N)CC1=CCCCC1.
What is the InChIKey of 3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine?
The InChIKey is DYAFSNHMGNHMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-12-6-7-16-9-11(12)13(15)8-10-4-2-1-3-5-10/h4,6-7,9,13H,1-3,5,8,15H2,(H2,14,16).
What are the key properties of 3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine?
3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine has a molecular weight of 217.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 116661348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).