1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine

C14H20N2 — CID 115751180

IUPAC1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine
SMILESC=CCCC(NCc1ccccn1)C1CC1
InChIInChI=1S/C14H20N2/c1-2-3-7-14(12-8-9-12)16-11-13-6-4-5-10-15-13/h2,4-6,10,12,14,16H,1,3,7-9,11H2
InChIKeyDUPZZKLIYBCTHQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.92
Rot. Bonds7

About 1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine

1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine (PubChem CID 115751180) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine
PubChem CID115751180
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine
SMILESC=CCCC(NCc1ccccn1)C1CC1
InChIInChI=1S/C14H20N2/c1-2-3-7-14(12-8-9-12)16-11-13-6-4-5-10-15-13/h2,4-6,10,12,14,16H,1,3,7-9,11H2
InChIKeyDUPZZKLIYBCTHQ-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.92
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

N-(pyridin-2-ylmethyl)hex-5-en-2-amine
CID 75525482
1-cyclopropyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105157131
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
1-cyclopropyl-N-methyl-2-pyridin-2-ylethanamine
CID 63352689
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
1-cyclopentyl-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 105081102
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115768543
2-prop-2-enylpyridine
CID 3015241
1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 115584771
(1-cyclobutyl-3-pyridin-2-ylpropyl)hydrazine
CID 105340146
(1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine
CID 125142267
1-(4-ethylcyclohexyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105155309

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine?
The IUPAC name of 1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine (CID 115751180) is 1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine?
The canonical SMILES for 1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine is C=CCCC(NCc1ccccn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine?
The InChIKey is DUPZZKLIYBCTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-3-7-14(12-8-9-12)16-11-13-6-4-5-10-15-13/h2,4-6,10,12,14,16H,1,3,7-9,11H2.
What are the key properties of 1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine?
1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine is sourced from PubChem (CID 115751180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).