(3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine

C10H17N — CID 130438726

IUPAC(3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine
SMILESCCC(C)[C@H]1C=NC=C(C)C1
InChIInChI=1S/C10H17N/c1-4-9(3)10-5-8(2)6-11-7-10/h6-7,9-10H,4-5H2,1-3H3/t9?,10-/m1/s1
InChIKeySXINDQVABOSYGC-QVDQXJPCSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds2

About (3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine

(3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine (PubChem CID 130438726) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name(3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine
PubChem CID130438726
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine
SMILESCCC(C)[C@H]1C=NC=C(C)C1
InChIInChI=1S/C10H17N/c1-4-9(3)10-5-8(2)6-11-7-10/h6-7,9-10H,4-5H2,1-3H3/t9?,10-/m1/s1
InChIKeySXINDQVABOSYGC-QVDQXJPCSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-5-propan-2-yl-4,5-dihydro-3H-azepine
CID 123302321
3-Fluoro-5-propan-2-yl-3,4-dihydropyridine
CID 166850650
5-Ethyl-4-fluoro-3-methyl-3,4-dihydropyridine
CID 167009176
3,7-Diethyl-5-azanona-3,5-diene
CID 12413470
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
4,5-Dimethyl-3,4-dihydropyridine
CID 14979272
2-ethyl-N-[(E)-2-ethylhex-1-enyl]hexan-1-imine
CID 20436141
1-cyclohexyl-N-(cyclohexylidenemethyl)methanimine
CID 20436160
N-propylidene-(2-ethylhexen-1-yl-amine)
CID 53884118
2-ethyl-N-(2-ethylhex-1-enyl)hexan-1-imine
CID 53891917
4-Ethyl-3-methyl-3,4-dihydropyridine
CID 54052565

Frequently Asked Questions

What is the IUPAC name of (3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine?
The IUPAC name of (3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine (CID 130438726) is (3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for (3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine?
The canonical SMILES for (3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine is CCC(C)[C@H]1C=NC=C(C)C1.
What is the InChIKey of (3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine?
The InChIKey is SXINDQVABOSYGC-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H17N/c1-4-9(3)10-5-8(2)6-11-7-10/h6-7,9-10H,4-5H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine?
(3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-butan-2-yl-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 130438726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).