5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine

C11H18N2 — CID 146416395

IUPAC5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine
SMILESC=C(CCC)NC1=NCCC=C1C
InChIInChI=1S/C11H18N2/c1-4-6-10(3)13-11-9(2)7-5-8-12-11/h7H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyAXHYVFAYXNHNED-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.64
Rot. Bonds3

About 5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine

5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine (PubChem CID 146416395) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound Name5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine
PubChem CID146416395
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine
SMILESC=C(CCC)NC1=NCCC=C1C
InChIInChI=1S/C11H18N2/c1-4-6-10(3)13-11-9(2)7-5-8-12-11/h7H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyAXHYVFAYXNHNED-UHFFFAOYSA-N
XLogP2.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine?
The IUPAC name of 5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine (CID 146416395) is 5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine.
What is the SMILES notation for 5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine?
The canonical SMILES for 5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine is C=C(CCC)NC1=NCCC=C1C.
What is the InChIKey of 5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine?
The InChIKey is AXHYVFAYXNHNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-6-10(3)13-11-9(2)7-5-8-12-11/h7H,3-6,8H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine?
5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine has a molecular weight of 178.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 146416395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).