4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol

C13H20N2O — CID 56795318

IUPAC4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
SMILESOCCCCN(Cc1cccnc1)C1CC1
InChIInChI=1S/C13H20N2O/c16-9-2-1-8-15(13-5-6-13)11-12-4-3-7-14-10-12/h3-4,7,10,13,16H,1-2,5-6,8-9,11H2
InChIKeyPWWAZFGJJUPUPD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.82
Rot. Bonds7

About 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol

4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol (PubChem CID 56795318) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
PubChem CID56795318
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
SMILESOCCCCN(Cc1cccnc1)C1CC1
InChIInChI=1S/C13H20N2O/c16-9-2-1-8-15(13-5-6-13)11-12-4-3-7-14-10-12/h3-4,7,10,13,16H,1-2,5-6,8-9,11H2
InChIKeyPWWAZFGJJUPUPD-UHFFFAOYSA-N
XLogP1.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-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

N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol
CID 111457038
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114762788
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079
2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
CID 110899734

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol?
The IUPAC name of 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol (CID 56795318) is 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol is OCCCCN(Cc1cccnc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol?
The InChIKey is PWWAZFGJJUPUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-9-2-1-8-15(13-5-6-13)11-12-4-3-7-14-10-12/h3-4,7,10,13,16H,1-2,5-6,8-9,11H2.
What are the key properties of 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol?
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 56795318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).