5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine

C16H26N2 — CID 89006260

IUPAC5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine
SMILESC=C1C=CN(CCCNC(=C)CCC(C)C)C=C1
InChIInChI=1S/C16H26N2/c1-14(2)6-7-16(4)17-10-5-11-18-12-8-15(3)9-13-18/h8-9,12-14,17H,3-7,10-11H2,1-2H3
InChIKeyBIFABYMAKYJTNV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.82
Rot. Bonds8

About 5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine

5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine (PubChem CID 89006260) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine
PubChem CID89006260
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine
SMILESC=C1C=CN(CCCNC(=C)CCC(C)C)C=C1
InChIInChI=1S/C16H26N2/c1-14(2)6-7-16(4)17-10-5-11-18-12-8-15(3)9-13-18/h8-9,12-14,17H,3-7,10-11H2,1-2H3
InChIKeyBIFABYMAKYJTNV-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine?
The IUPAC name of 5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine (CID 89006260) is 5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine.
What is the SMILES notation for 5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine?
The canonical SMILES for 5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine is C=C1C=CN(CCCNC(=C)CCC(C)C)C=C1.
What is the InChIKey of 5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine?
The InChIKey is BIFABYMAKYJTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)6-7-16(4)17-10-5-11-18-12-8-15(3)9-13-18/h8-9,12-14,17H,3-7,10-11H2,1-2H3.
What are the key properties of 5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine?
5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine is sourced from PubChem (CID 89006260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).