N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine

C12H20N2 — CID 91176798

IUPACN-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
SMILESCC/C=N/C1=CCCN=C1C(C)CC
InChIInChI=1S/C12H20N2/c1-4-8-13-11-7-6-9-14-12(11)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b13-8+
InChIKeyLDGIDHXMRUTLPO-MDWZMJQESA-N
MW192.31 g/mol
LogP3.24
Rot. Bonds4

About N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine

N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine (PubChem CID 91176798) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine.

Molecular Properties

Compound NameN-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
PubChem CID91176798
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
SMILESCC/C=N/C1=CCCN=C1C(C)CC
InChIInChI=1S/C12H20N2/c1-4-8-13-11-7-6-9-14-12(11)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b13-8+
InChIKeyLDGIDHXMRUTLPO-MDWZMJQESA-N
XLogP3.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
4-Ethyl-6-methyl-3,4-dihydropyridine
CID 57076451
10-Methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine
CID 91242003
N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine
CID 123384655
6-Ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
CID 123490439
N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine
CID 123534726
6-(3-Methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
CID 123650245
6-(3-Methylbutyl)-3,4-dihydropyridine
CID 142079078
ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine
CID 142610613
(2E)-N,4-dimethyl-2-propylidenepyridin-3-imine;ethane
CID 142610959
(3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine
CID 146635344
(2E)-4-butan-2-yl-2-(2,2-dimethylpropylidene)-N-ethylpyridin-3-imine
CID 153570640

Frequently Asked Questions

What is the IUPAC name of N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine?
The IUPAC name of N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine (CID 91176798) is N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine.
What is the SMILES notation for N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine?
The canonical SMILES for N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine is CC/C=N/C1=CCCN=C1C(C)CC.
What is the InChIKey of N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine?
The InChIKey is LDGIDHXMRUTLPO-MDWZMJQESA-N. The full InChI is InChI=1S/C12H20N2/c1-4-8-13-11-7-6-9-14-12(11)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b13-8+.
What are the key properties of N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine?
N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine has a molecular weight of 192.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine is sourced from PubChem (CID 91176798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).