2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine

C12H18N2 — CID 66045454

IUPAC2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine
SMILESC=C(CC)CNCCc1ccncc1
InChIInChI=1S/C12H18N2/c1-3-11(2)10-14-9-6-12-4-7-13-8-5-12/h4-5,7-8,14H,2-3,6,9-10H2,1H3
InChIKeyOPLKUCGLVCWJDP-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.18
Rot. Bonds6

About 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine

2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine (PubChem CID 66045454) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine
PubChem CID66045454
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine
SMILESC=C(CC)CNCCc1ccncc1
InChIInChI=1S/C12H18N2/c1-3-11(2)10-14-9-6-12-4-7-13-8-5-12/h4-5,7-8,14H,2-3,6,9-10H2,1H3
InChIKeyOPLKUCGLVCWJDP-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
CID 60904501
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N-ethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60863475
N-methyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60711939
N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60904348
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
2-methyl-4-(2-pyridin-4-ylethylamino)butan-2-ol
CID 79359431
4-(2-pyridin-4-ylethylamino)butan-2-one
CID 115235981
N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
CID 54880947
N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60649512

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine?
The IUPAC name of 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine (CID 66045454) is 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine?
The canonical SMILES for 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine is C=C(CC)CNCCc1ccncc1.
What is the InChIKey of 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine?
The InChIKey is OPLKUCGLVCWJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-11(2)10-14-9-6-12-4-7-13-8-5-12/h4-5,7-8,14H,2-3,6,9-10H2,1H3.
What are the key properties of 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine?
2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 66045454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).