N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine

C14H20N2 — CID 115677074

IUPACN-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine
SMILESC=CCC(NC(C)C1CC1)c1ccncc1
InChIInChI=1S/C14H20N2/c1-3-4-14(13-7-9-15-10-8-13)16-11(2)12-5-6-12/h3,7-12,14,16H,1,4-6H2,2H3
InChIKeyKEJRLNAWNUGSFF-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.09
Rot. Bonds6

About N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine

N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine (PubChem CID 115677074) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine
PubChem CID115677074
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine
SMILESC=CCC(NC(C)C1CC1)c1ccncc1
InChIInChI=1S/C14H20N2/c1-3-4-14(13-7-9-15-10-8-13)16-11(2)12-5-6-12/h3,7-12,14,16H,1,4-6H2,2H3
InChIKeyKEJRLNAWNUGSFF-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nicotine
CID 89594
Ethionamide
CID 2761171
Anabasine
CID 205586
3-Methylpyridine
CID 7970
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Betahistine
CID 2366

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine (CID 115677074) is N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine is C=CCC(NC(C)C1CC1)c1ccncc1.
What is the InChIKey of N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine?
The InChIKey is KEJRLNAWNUGSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-4-14(13-7-9-15-10-8-13)16-11(2)12-5-6-12/h3,7-12,14,16H,1,4-6H2,2H3.
What are the key properties of N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine?
N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine is sourced from PubChem (CID 115677074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).