1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine

C15H27N3 — CID 114161007

IUPAC1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine
SMILESC#CC(CCC)NC1(CN)CCN2CCCCC21
InChIInChI=1S/C15H27N3/c1-3-7-13(4-2)17-15(12-16)9-11-18-10-6-5-8-14(15)18/h2,13-14,17H,3,5-12,16H2,1H3
InChIKeyBZSZPDAXBJMKHG-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.33
Rot. Bonds5

About 1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine

1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine (PubChem CID 114161007) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine
PubChem CID114161007
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine
SMILESC#CC(CCC)NC1(CN)CCN2CCCCC21
InChIInChI=1S/C15H27N3/c1-3-7-13(4-2)17-15(12-16)9-11-18-10-6-5-8-14(15)18/h2,13-14,17H,3,5-12,16H2,1H3
InChIKeyBZSZPDAXBJMKHG-UHFFFAOYSA-N
XLogP1.33
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine (CID 114161007) is 1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine is C#CC(CCC)NC1(CN)CCN2CCCCC21.
What is the InChIKey of 1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine?
The InChIKey is BZSZPDAXBJMKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-7-13(4-2)17-15(12-16)9-11-18-10-6-5-8-14(15)18/h2,13-14,17H,3,5-12,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine?
1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine has a molecular weight of 249.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-hex-1-yn-3-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine is sourced from PubChem (CID 114161007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).