(3-butylidene-4H-pyridin-2-yl)methanamine

C10H16N2 — CID 70596861

IUPAC(3-butylidene-4H-pyridin-2-yl)methanamine
SMILESCCCC=C1CC=CN=C1CN
InChIInChI=1S/C10H16N2/c1-2-3-5-9-6-4-7-12-10(9)8-11/h4-5,7H,2-3,6,8,11H2,1H3
InChIKeyJUCZTXANQDPIHB-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.03
Rot. Bonds3

About (3-butylidene-4H-pyridin-2-yl)methanamine

(3-butylidene-4H-pyridin-2-yl)methanamine (PubChem CID 70596861) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3-butylidene-4H-pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(3-butylidene-4H-pyridin-2-yl)methanamine
PubChem CID70596861
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3-butylidene-4H-pyridin-2-yl)methanamine
SMILESCCCC=C1CC=CN=C1CN
InChIInChI=1S/C10H16N2/c1-2-3-5-9-6-4-7-12-10(9)8-11/h4-5,7H,2-3,6,8,11H2,1H3
InChIKeyJUCZTXANQDPIHB-UHFFFAOYSA-N
XLogP2.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-butylidene-4H-pyridin-2-yl)methanamine?
The IUPAC name of (3-butylidene-4H-pyridin-2-yl)methanamine (CID 70596861) is (3-butylidene-4H-pyridin-2-yl)methanamine.
What is the SMILES notation for (3-butylidene-4H-pyridin-2-yl)methanamine?
The canonical SMILES for (3-butylidene-4H-pyridin-2-yl)methanamine is CCCC=C1CC=CN=C1CN.
What is the InChIKey of (3-butylidene-4H-pyridin-2-yl)methanamine?
The InChIKey is JUCZTXANQDPIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-3-5-9-6-4-7-12-10(9)8-11/h4-5,7H,2-3,6,8,11H2,1H3.
What are the key properties of (3-butylidene-4H-pyridin-2-yl)methanamine?
(3-butylidene-4H-pyridin-2-yl)methanamine has a molecular weight of 164.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylidene-4H-pyridin-2-yl)methanamine is sourced from PubChem (CID 70596861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).