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

C10H18N2 — CID 23354009

IUPACN-methyl-3-(2H-pyridin-1-yl)butan-1-amine
SMILESCNCCC(C)N1C=CC=CC1
InChIInChI=1S/C10H18N2/c1-10(6-7-11-2)12-8-4-3-5-9-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyQSWPGIJQXSLXDT-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.37
Rot. Bonds4

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

N-methyl-3-(2H-pyridin-1-yl)butan-1-amine (PubChem CID 23354009) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-methyl-3-(2H-pyridin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2H-pyridin-1-yl)butan-1-amine
PubChem CID23354009
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-methyl-3-(2H-pyridin-1-yl)butan-1-amine
SMILESCNCCC(C)N1C=CC=CC1
InChIInChI=1S/C10H18N2/c1-10(6-7-11-2)12-8-4-3-5-9-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyQSWPGIJQXSLXDT-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2H-pyridin-1-yl)butan-1-amine?
The IUPAC name of N-methyl-3-(2H-pyridin-1-yl)butan-1-amine (CID 23354009) is N-methyl-3-(2H-pyridin-1-yl)butan-1-amine.
What is the SMILES notation for N-methyl-3-(2H-pyridin-1-yl)butan-1-amine?
The canonical SMILES for N-methyl-3-(2H-pyridin-1-yl)butan-1-amine is CNCCC(C)N1C=CC=CC1.
What is the InChIKey of N-methyl-3-(2H-pyridin-1-yl)butan-1-amine?
The InChIKey is QSWPGIJQXSLXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(6-7-11-2)12-8-4-3-5-9-12/h3-5,8,10-11H,6-7,9H2,1-2H3.
What are the key properties of N-methyl-3-(2H-pyridin-1-yl)butan-1-amine?
N-methyl-3-(2H-pyridin-1-yl)butan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2H-pyridin-1-yl)butan-1-amine is sourced from PubChem (CID 23354009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).