1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C17H35N3 — CID 82853588

IUPAC1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCCC(CC)N(CC(C)C)C1(CN)CCN2CCCC21
InChIInChI=1S/C17H35N3/c1-5-15(6-2)20(12-14(3)4)17(13-18)9-11-19-10-7-8-16(17)19/h14-16H,5-13,18H2,1-4H3
InChIKeyPFXUVUUICOMJSB-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.70
Rot. Bonds7

About 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82853588) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82853588
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCCC(CC)N(CC(C)C)C1(CN)CCN2CCCC21
InChIInChI=1S/C17H35N3/c1-5-15(6-2)20(12-14(3)4)17(13-18)9-11-19-10-7-8-16(17)19/h14-16H,5-13,18H2,1-4H3
InChIKeyPFXUVUUICOMJSB-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82853588) is 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is CCC(CC)N(CC(C)C)C1(CN)CCN2CCCC21.
What is the InChIKey of 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is PFXUVUUICOMJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-15(6-2)20(12-14(3)4)17(13-18)9-11-19-10-7-8-16(17)19/h14-16H,5-13,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82853588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).