5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol

C15H24N2O — CID 62228812

IUPAC5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol
SMILESNCc1ccc(N(CCCCCO)C2CC2)cc1
InChIInChI=1S/C15H24N2O/c16-12-13-4-6-14(7-5-13)17(15-8-9-15)10-2-1-3-11-18/h4-7,15,18H,1-3,8-12,16H2
InChIKeyNMKAFHROQFXUOW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.28
Rot. Bonds8

About 5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol

5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol (PubChem CID 62228812) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol
PubChem CID62228812
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol
SMILESNCc1ccc(N(CCCCCO)C2CC2)cc1
InChIInChI=1S/C15H24N2O/c16-12-13-4-6-14(7-5-13)17(15-8-9-15)10-2-1-3-11-18/h4-7,15,18H,1-3,8-12,16H2
InChIKeyNMKAFHROQFXUOW-UHFFFAOYSA-N
XLogP2.28
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494006
4-[cyclobutyl(3-hydroxypropyl)amino]benzenecarbothioamide
CID 102862592
3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide
CID 55061487
N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
CID 82927051
3-[3-(aminomethyl)-5-bromo-N-cyclobutylanilino]propan-1-ol
CID 102859668
4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline
CID 43276219
1-[4-(aminomethyl)-N-cyclopropylanilino]-3-methylbutan-2-ol
CID 114249457
4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402832
2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide
CID 43276216
4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 102862865
2-[4-(aminomethyl)-N-cyclopropylanilino]-N-carbamoylacetamide
CID 43276200
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol?
The IUPAC name of 5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol (CID 62228812) is 5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol.
What is the SMILES notation for 5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol?
The canonical SMILES for 5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol is NCc1ccc(N(CCCCCO)C2CC2)cc1.
What is the InChIKey of 5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol?
The InChIKey is NMKAFHROQFXUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-12-13-4-6-14(7-5-13)17(15-8-9-15)10-2-1-3-11-18/h4-7,15,18H,1-3,8-12,16H2.
What are the key properties of 5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol?
5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol is sourced from PubChem (CID 62228812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).