2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine

C12H18N2 — CID 66047112

IUPAC2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
SMILESC=C(CC)CNC(C)c1cccnc1
InChIInChI=1S/C12H18N2/c1-4-10(2)8-14-11(3)12-6-5-7-13-9-12/h5-7,9,11,14H,2,4,8H2,1,3H3
InChIKeyHYHKMWVFUVMYKX-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.70
Rot. Bonds5

About 2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine

2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine (PubChem CID 66047112) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
PubChem CID66047112
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
SMILESC=C(CC)CNC(C)c1cccnc1
InChIInChI=1S/C12H18N2/c1-4-10(2)8-14-11(3)12-6-5-7-13-9-12/h5-7,9,11,14H,2,4,8H2,1,3H3
InChIKeyHYHKMWVFUVMYKX-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.70
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

N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine
CID 81404326
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404782
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine?
The IUPAC name of 2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine (CID 66047112) is 2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine.
What is the SMILES notation for 2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine?
The canonical SMILES for 2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine is C=C(CC)CNC(C)c1cccnc1.
What is the InChIKey of 2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine?
The InChIKey is HYHKMWVFUVMYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-10(2)8-14-11(3)12-6-5-7-13-9-12/h5-7,9,11,14H,2,4,8H2,1,3H3.
What are the key properties of 2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine?
2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine is sourced from PubChem (CID 66047112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).