4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine

C10H20N2 — CID 106315085

IUPAC4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
SMILESCC1=CCCN(CCC(C)N)C1
InChIInChI=1S/C10H20N2/c1-9-4-3-6-12(8-9)7-5-10(2)11/h4,10H,3,5-8,11H2,1-2H3
InChIKeyVCLKTIJXPVIXRZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.38
Rot. Bonds3

About 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine

4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine (PubChem CID 106315085) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
PubChem CID106315085
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
SMILESCC1=CCCN(CCC(C)N)C1
InChIInChI=1S/C10H20N2/c1-9-4-3-6-12(8-9)7-5-10(2)11/h4,10H,3,5-8,11H2,1-2H3
InChIKeyVCLKTIJXPVIXRZ-UHFFFAOYSA-N
XLogP1.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.38
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

4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
CID 106314952
5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
CID 53316629
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
CID 106315033
1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine
CID 177317447
4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 130765996
1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopropan-1-amine
CID 131059396
4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 106314057
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine
CID 106316734
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine
CID 114172712
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
CID 106314902

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The IUPAC name of 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine (CID 106315085) is 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine.
What is the SMILES notation for 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The canonical SMILES for 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine is CC1=CCCN(CCC(C)N)C1.
What is the InChIKey of 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The InChIKey is VCLKTIJXPVIXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9-4-3-6-12(8-9)7-5-10(2)11/h4,10H,3,5-8,11H2,1-2H3.
What are the key properties of 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine is sourced from PubChem (CID 106315085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).