1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine

C13H27N3 — CID 166969113

IUPAC1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine
SMILESC=C(N)N1CCC(N(C)C(CC)CC)CC1
InChIInChI=1S/C13H27N3/c1-5-12(6-2)15(4)13-7-9-16(10-8-13)11(3)14/h12-13H,3,5-10,14H2,1-2,4H3
InChIKeyYBZRXMVOIHVCRW-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.00
Rot. Bonds5

About 1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine

1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine (PubChem CID 166969113) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine
PubChem CID166969113
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine
SMILESC=C(N)N1CCC(N(C)C(CC)CC)CC1
InChIInChI=1S/C13H27N3/c1-5-12(6-2)15(4)13-7-9-16(10-8-13)11(3)14/h12-13H,3,5-10,14H2,1-2,4H3
InChIKeyYBZRXMVOIHVCRW-UHFFFAOYSA-N
XLogP2.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine?
The IUPAC name of 1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine (CID 166969113) is 1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine.
What is the SMILES notation for 1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine?
The canonical SMILES for 1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine is C=C(N)N1CCC(N(C)C(CC)CC)CC1.
What is the InChIKey of 1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine?
The InChIKey is YBZRXMVOIHVCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-12(6-2)15(4)13-7-9-16(10-8-13)11(3)14/h12-13H,3,5-10,14H2,1-2,4H3.
What are the key properties of 1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine?
1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine has a molecular weight of 225.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine is sourced from PubChem (CID 166969113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).