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

C11H20N2 — CID 67602406

IUPAC3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine
SMILESCC(CCN)CC1=CN(C)CC=C1
InChIInChI=1S/C11H20N2/c1-10(5-6-12)8-11-4-3-7-13(2)9-11/h3-4,9-10H,5-8,12H2,1-2H3
InChIKeyZCKHWLWMJLTCCY-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.75
Rot. Bonds4

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

3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine (PubChem CID 67602406) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine
PubChem CID67602406
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine
SMILESCC(CCN)CC1=CN(C)CC=C1
InChIInChI=1S/C11H20N2/c1-10(5-6-12)8-11-4-3-7-13(2)9-11/h3-4,9-10H,5-8,12H2,1-2H3
InChIKeyZCKHWLWMJLTCCY-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine?
The IUPAC name of 3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine (CID 67602406) is 3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine?
The canonical SMILES for 3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine is CC(CCN)CC1=CN(C)CC=C1.
What is the InChIKey of 3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine?
The InChIKey is ZCKHWLWMJLTCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(5-6-12)8-11-4-3-7-13(2)9-11/h3-4,9-10H,5-8,12H2,1-2H3.
What are the key properties of 3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine?
3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine is sourced from PubChem (CID 67602406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).