2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine

C12H21N3 — CID 144800593

IUPAC2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine
SMILESC=NN(CCCCC)C1C=CC=NC1C
InChIInChI=1S/C12H21N3/c1-4-5-6-10-15(13-3)12-8-7-9-14-11(12)2/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeyXTYMJFZBVXSUCE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.49
Rot. Bonds6

About 2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine

2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine (PubChem CID 144800593) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine
PubChem CID144800593
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine
SMILESC=NN(CCCCC)C1C=CC=NC1C
InChIInChI=1S/C12H21N3/c1-4-5-6-10-15(13-3)12-8-7-9-14-11(12)2/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeyXTYMJFZBVXSUCE-UHFFFAOYSA-N
XLogP2.49
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine?
The IUPAC name of 2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine (CID 144800593) is 2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine.
What is the SMILES notation for 2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine?
The canonical SMILES for 2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine is C=NN(CCCCC)C1C=CC=NC1C.
What is the InChIKey of 2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine?
The InChIKey is XTYMJFZBVXSUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-6-10-15(13-3)12-8-7-9-14-11(12)2/h7-9,11-12H,3-6,10H2,1-2H3.
What are the key properties of 2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine?
2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine is sourced from PubChem (CID 144800593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).