5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol

C17H29N3O — CID 107316927

IUPAC5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol
SMILESNCC1(NCCCCCO)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3O/c18-14-17(19-10-5-2-6-12-21)9-11-20(15-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,19,21H,2,5-6,9-15,18H2
InChIKeyFJUBYIOREACEOE-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.34
Rot. Bonds9

About 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol

5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol (PubChem CID 107316927) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol
PubChem CID107316927
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol
SMILESNCC1(NCCCCCO)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3O/c18-14-17(19-10-5-2-6-12-21)9-11-20(15-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,19,21H,2,5-6,9-15,18H2
InChIKeyFJUBYIOREACEOE-UHFFFAOYSA-N
XLogP1.34
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol
CID 65380537
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312
N-[1-benzyl-3-(hydroxymethyl)pyrrolidin-3-yl]-methylboronamidic acid;ethane
CID 91360741
4-(aminomethyl)-1-benzyl-N-prop-2-enylpiperidin-4-amine
CID 65382815
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
3-(aminomethyl)-1-benzyl-N-but-3-yn-2-ylpiperidin-3-amine
CID 114416325
ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
CID 60796783
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
[1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol
CID 61049771
[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 61056770
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol (CID 107316927) is 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol is NCC1(NCCCCCO)CCN(Cc2ccccc2)C1.
What is the InChIKey of 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol?
The InChIKey is FJUBYIOREACEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c18-14-17(19-10-5-2-6-12-21)9-11-20(15-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,19,21H,2,5-6,9-15,18H2.
What are the key properties of 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol?
5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 1.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol is sourced from PubChem (CID 107316927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).