N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine

C9H16N2 — CID 143003407

IUPACN-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine
SMILESCCCNCC1=CC=NCC1
InChIInChI=1S/C9H16N2/c1-2-5-11-8-9-3-6-10-7-4-9/h3,6,11H,2,4-5,7-8H2,1H3
InChIKeyHLDHRUCIRBWKPG-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.39
Rot. Bonds4

About N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine

N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine (PubChem CID 143003407) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine
PubChem CID143003407
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine
SMILESCCCNCC1=CC=NCC1
InChIInChI=1S/C9H16N2/c1-2-5-11-8-9-3-6-10-7-4-9/h3,6,11H,2,4-5,7-8H2,1H3
InChIKeyHLDHRUCIRBWKPG-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-Dihydropyridin-4-ylmethyl)piperazine
CID 69744774
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
1-(2,3-dihydropyridin-5-yl)-N-methylmethanamine
CID 89652924
N-[(2-bromo-2,3-dihydropyridin-4-yl)methyl]propan-2-amine
CID 89703399
N-methyl-2-(2H-pyrrol-4-yl)ethanamine
CID 90161354
4-[[Ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine
CID 91308930
(Z,2E)-N-methyl-2-(2-methyliminoethylidene)pent-3-en-1-amine
CID 117904339
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
CID 123218319
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine
CID 123571231
N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine
CID 123600926

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine (CID 143003407) is N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine is CCCNCC1=CC=NCC1.
What is the InChIKey of N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine?
The InChIKey is HLDHRUCIRBWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-5-11-8-9-3-6-10-7-4-9/h3,6,11H,2,4-5,7-8H2,1H3.
What are the key properties of N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine?
N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 143003407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).