3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol

C12H26N2O — CID 106811212

IUPAC3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol
SMILESCCN(CCCC(O)(CC)CN)C1CC1
InChIInChI=1S/C12H26N2O/c1-3-12(15,10-13)8-5-9-14(4-2)11-6-7-11/h11,15H,3-10,13H2,1-2H3
InChIKeyZASLSMPMEKHUSJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.35
Rot. Bonds8

About 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol

3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol (PubChem CID 106811212) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol
PubChem CID106811212
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol
SMILESCCN(CCCC(O)(CC)CN)C1CC1
InChIInChI=1S/C12H26N2O/c1-3-12(15,10-13)8-5-9-14(4-2)11-6-7-11/h11,15H,3-10,13H2,1-2H3
InChIKeyZASLSMPMEKHUSJ-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-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

3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol
CID 106811363
3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
CID 106811257
1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol
CID 64818871
3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
CID 106811265
1-amino-6-[cyclopropyl(propyl)amino]-2-methylhexan-2-ol
CID 64819984
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
1-amino-5-[cyclopropyl(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64818670
3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
CID 106811269
6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
CID 106711942
5-[cyclopropyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795940
3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol
CID 106811259

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol (CID 106811212) is 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol is CCN(CCCC(O)(CC)CN)C1CC1.
What is the InChIKey of 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol?
The InChIKey is ZASLSMPMEKHUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-12(15,10-13)8-5-9-14(4-2)11-6-7-11/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol?
3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol has a molecular weight of 214.35 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol is sourced from PubChem (CID 106811212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).