3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine

C15H22N2 — CID 117205892

IUPAC3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
SMILESNCCCC1=CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2/c16-10-4-8-15-9-5-11-17(13-15)12-14-6-2-1-3-7-14/h1-3,6-7,9H,4-5,8,10-13,16H2
InChIKeyPGTUUJUOTSKGIP-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.56
Rot. Bonds5

About 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine

3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine (PubChem CID 117205892) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
PubChem CID117205892
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
SMILESNCCCC1=CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2/c16-10-4-8-15-9-5-11-17(13-15)12-14-6-2-1-3-7-14/h1-3,6-7,9H,4-5,8,10-13,16H2
InChIKeyPGTUUJUOTSKGIP-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.56
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

1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205582
N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine
CID 117205656
1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine
CID 117206009
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
3-(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)propan-1-amine
CID 82379207
1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine
CID 139679454
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine;2-chloropropane;dihydrochloride
CID 75485433
(4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine
CID 70159543
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
CID 155920966
3-phenylpropan-1-amine;propane
CID 70273467
3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine
CID 82383657

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine?
The IUPAC name of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine (CID 117205892) is 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine?
The canonical SMILES for 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine is NCCCC1=CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine?
The InChIKey is PGTUUJUOTSKGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-10-4-8-15-9-5-11-17(13-15)12-14-6-2-1-3-7-14/h1-3,6-7,9H,4-5,8,10-13,16H2.
What are the key properties of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine?
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine is sourced from PubChem (CID 117205892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).