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

C17H28N2 — CID 89058601

IUPAC5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine
SMILESC=C(CCC(C)C)NCCCN1C=CC(=C)C(C)=C1
InChIInChI=1S/C17H28N2/c1-14(2)7-8-17(5)18-10-6-11-19-12-9-15(3)16(4)13-19/h9,12-14,18H,3,5-8,10-11H2,1-2,4H3
InChIKeyYNILAYDZDUFGBI-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.21
Rot. Bonds8

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

5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine (PubChem CID 89058601) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine
PubChem CID89058601
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine
SMILESC=C(CCC(C)C)NCCCN1C=CC(=C)C(C)=C1
InChIInChI=1S/C17H28N2/c1-14(2)7-8-17(5)18-10-6-11-19-12-9-15(3)16(4)13-19/h9,12-14,18H,3,5-8,10-11H2,1-2,4H3
InChIKeyYNILAYDZDUFGBI-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.21
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-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine?
The IUPAC name of 5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine (CID 89058601) is 5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine.
What is the SMILES notation for 5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine?
The canonical SMILES for 5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine is C=C(CCC(C)C)NCCCN1C=CC(=C)C(C)=C1.
What is the InChIKey of 5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine?
The InChIKey is YNILAYDZDUFGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)7-8-17(5)18-10-6-11-19-12-9-15(3)16(4)13-19/h9,12-14,18H,3,5-8,10-11H2,1-2,4H3.
What are the key properties of 5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine?
5-methyl-N-[3-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine has a molecular weight of 260.43 g/mol, XLogP of 4.21, 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-(3-methyl-4-methylidene-1-pyridinyl)propyl]hex-1-en-2-amine is sourced from PubChem (CID 89058601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).