3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine

C20H34N2 — CID 130390137

IUPAC3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine
SMILESC=C(CC)C(=C)N(C(C)C)C(C)C1=CC(C)=C(CCC)NC1
InChIInChI=1S/C20H34N2/c1-9-11-20-16(6)12-19(13-21-20)18(8)22(14(3)4)17(7)15(5)10-2/h12,14,18,21H,5,7,9-11,13H2,1-4,6,8H3
InChIKeyBWYWCKBKXHHAKP-UHFFFAOYSA-N
MW302.51 g/mol
LogP5.17
Rot. Bonds8

About 3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine

3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine (PubChem CID 130390137) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine.

Molecular Properties

Compound Name3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine
PubChem CID130390137
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine
SMILESC=C(CC)C(=C)N(C(C)C)C(C)C1=CC(C)=C(CCC)NC1
InChIInChI=1S/C20H34N2/c1-9-11-20-16(6)12-19(13-21-20)18(8)22(14(3)4)17(7)15(5)10-2/h12,14,18,21H,5,7,9-11,13H2,1-4,6,8H3
InChIKeyBWYWCKBKXHHAKP-UHFFFAOYSA-N
XLogP5.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine?
The IUPAC name of 3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine (CID 130390137) is 3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine.
What is the SMILES notation for 3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine?
The canonical SMILES for 3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine is C=C(CC)C(=C)N(C(C)C)C(C)C1=CC(C)=C(CCC)NC1.
What is the InChIKey of 3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine?
The InChIKey is BWYWCKBKXHHAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-9-11-20-16(6)12-19(13-21-20)18(8)22(14(3)4)17(7)15(5)10-2/h12,14,18,21H,5,7,9-11,13H2,1-4,6,8H3.
What are the key properties of 3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine?
3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine has a molecular weight of 302.51 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-[1-(5-methyl-6-propyl-1,2-dihydropyridin-3-yl)ethyl]-N-propan-2-ylpent-1-en-2-amine is sourced from PubChem (CID 130390137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).