N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine

C17H24N2 — CID 70421914

IUPACN-benzyl-2-pentyl-2,3-dihydropyridin-3-amine
SMILESCCCCCC1N=CC=CC1NCc1ccccc1
InChIInChI=1S/C17H24N2/c1-2-3-5-11-16-17(12-8-13-18-16)19-14-15-9-6-4-7-10-15/h4,6-10,12-13,16-17,19H,2-3,5,11,14H2,1H3
InChIKeyQUICKUBAZYWJTR-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.73
Rot. Bonds7

About N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine

N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine (PubChem CID 70421914) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-pentyl-2,3-dihydropyridin-3-amine
PubChem CID70421914
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-benzyl-2-pentyl-2,3-dihydropyridin-3-amine
SMILESCCCCCC1N=CC=CC1NCc1ccccc1
InChIInChI=1S/C17H24N2/c1-2-3-5-11-16-17(12-8-13-18-16)19-14-15-9-6-4-7-10-15/h4,6-10,12-13,16-17,19H,2-3,5,11,14H2,1H3
InChIKeyQUICKUBAZYWJTR-UHFFFAOYSA-N
XLogP3.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.73
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

2-pentyl-2,3-dihydropyridin-3-amine
CID 67896766
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine
CID 68819866
azane;N-benzylbutan-1-amine
CID 175388745
1-phenyl-N-propylsulfanylmethanamine
CID 89416181
3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole
CID 90723422
benzyl-dodecyl-methylazanium hydroxide
CID 87456417
hexakis(decane);ethylbenzene
CID 173398562
N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
CID 83993911
cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide
CID 98220206
N-benzyl-5-butyl-1-methylpiperidin-3-amine
CID 83993440
(2R)-N-benzylheptan-2-amine
CID 14923313

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine?
The IUPAC name of N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine (CID 70421914) is N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine.
What is the SMILES notation for N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine?
The canonical SMILES for N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine is CCCCCC1N=CC=CC1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine?
The InChIKey is QUICKUBAZYWJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-3-5-11-16-17(12-8-13-18-16)19-14-15-9-6-4-7-10-15/h4,6-10,12-13,16-17,19H,2-3,5,11,14H2,1H3.
What are the key properties of N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine?
N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine has a molecular weight of 256.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine is sourced from PubChem (CID 70421914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).