6-heptan-3-yl-3,4-dihydropyridine

C12H21N — CID 143661058

IUPAC6-heptan-3-yl-3,4-dihydropyridine
SMILESCCCCC(CC)C1=CCCC=N1
InChIInChI=1S/C12H21N/c1-3-5-8-11(4-2)12-9-6-7-10-13-12/h9-11H,3-8H2,1-2H3
InChIKeyGONDXVCJYIQPNP-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.95
Rot. Bonds5

About 6-heptan-3-yl-3,4-dihydropyridine

6-heptan-3-yl-3,4-dihydropyridine (PubChem CID 143661058) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-heptan-3-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-heptan-3-yl-3,4-dihydropyridine
PubChem CID143661058
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-heptan-3-yl-3,4-dihydropyridine
SMILESCCCCC(CC)C1=CCCC=N1
InChIInChI=1S/C12H21N/c1-3-5-8-11(4-2)12-9-6-7-10-13-12/h9-11H,3-8H2,1-2H3
InChIKeyGONDXVCJYIQPNP-UHFFFAOYSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine
CID 143668305
3-(3-Fluorohexa-1,5-dien-3-yl)-6-methyl-3,4-dihydropyridine
CID 144727290
(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
3,4,5,5a,6,7-Hexahydrocyclopenta[b]azepine
CID 129873648
(Z)-3-tert-butylimino-1-cyclohexylprop-1-en-1-amine
CID 135076649
3-Butyl-6-fluoro-2-methylidene-3,4-dihydroazepine
CID 145592181
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
3,5-Dimethyl-6-octyl-3,4-dihydropyridine
CID 54387990
4-Ethyl-6-methyl-3,4-dihydropyridine
CID 57076451
2,6-Dimethyl-4-propyl-3,4-dihydropyridine
CID 57200011
5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963

Frequently Asked Questions

What is the IUPAC name of 6-heptan-3-yl-3,4-dihydropyridine?
The IUPAC name of 6-heptan-3-yl-3,4-dihydropyridine (CID 143661058) is 6-heptan-3-yl-3,4-dihydropyridine.
What is the SMILES notation for 6-heptan-3-yl-3,4-dihydropyridine?
The canonical SMILES for 6-heptan-3-yl-3,4-dihydropyridine is CCCCC(CC)C1=CCCC=N1.
What is the InChIKey of 6-heptan-3-yl-3,4-dihydropyridine?
The InChIKey is GONDXVCJYIQPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-5-8-11(4-2)12-9-6-7-10-13-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 6-heptan-3-yl-3,4-dihydropyridine?
6-heptan-3-yl-3,4-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptan-3-yl-3,4-dihydropyridine is sourced from PubChem (CID 143661058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).