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

C16H25N3 — CID 116662156

IUPAC3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine
SMILESCCCNC(CC1=CCCCC1)c1cnccc1N
InChIInChI=1S/C16H25N3/c1-2-9-19-16(11-13-6-4-3-5-7-13)14-12-18-10-8-15(14)17/h6,8,10,12,16,19H,2-5,7,9,11H2,1H3,(H2,17,18)
InChIKeyYDBOGRBTXADSAS-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.60
Rot. Bonds6

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

3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine (PubChem CID 116662156) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine
PubChem CID116662156
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine
SMILESCCCNC(CC1=CCCCC1)c1cnccc1N
InChIInChI=1S/C16H25N3/c1-2-9-19-16(11-13-6-4-3-5-7-13)14-12-18-10-8-15(14)17/h6,8,10,12,16,19H,2-5,7,9,11H2,1H3,(H2,17,18)
InChIKeyYDBOGRBTXADSAS-UHFFFAOYSA-N
XLogP3.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.60
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-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine
CID 116661348
N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088
N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 102833821
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 116662158
N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 116662180
3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine
CID 106815087
3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine
CID 113391490
N-[2-(cyclohexen-1-yl)-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 116662144
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660904
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660901

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine (CID 116662156) is 3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine is CCCNC(CC1=CCCCC1)c1cnccc1N.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine?
The InChIKey is YDBOGRBTXADSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-9-19-16(11-13-6-4-3-5-7-13)14-12-18-10-8-15(14)17/h6,8,10,12,16,19H,2-5,7,9,11H2,1H3,(H2,17,18).
What are the key properties of 3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine?
3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine has a molecular weight of 259.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine is sourced from PubChem (CID 116662156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).