3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride

C14H26ClNO — CID 2865633

IUPAC3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride
SMILESCN(CCCO)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C14H25NO.ClH/c1-15(3-2-4-16)14-8-11-5-12(9-14)7-13(6-11)10-14;/h11-13,16H,2-10H2,1H3;1H
InChIKeyGBEBDRLQOUNCPQ-UHFFFAOYSA-N
MW259.82 g/mol
LogP2.69
Rot. Bonds4

About 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride

3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride (PubChem CID 2865633) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride
PubChem CID2865633
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride
SMILESCN(CCCO)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C14H25NO.ClH/c1-15(3-2-4-16)14-8-11-5-12(9-14)7-13(6-11)10-14;/h11-13,16H,2-10H2,1H3;1H
InChIKeyGBEBDRLQOUNCPQ-UHFFFAOYSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride 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-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol
CID 114230783
N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine
CID 170778884
tert-butyl N-[4-[1-adamantyl(methyl)amino]butyl]carbamate
CID 164762963
2-[2-(1-adamantyl)ethyl-butylamino]ethanol
CID 60689159
2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
CID 60692321
1-adamantylmethanol;hydrochloride
CID 141053946
N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine
CID 113285775
3-[2-(1-adamantyl)ethylsulfanyl]propan-1-ol
CID 66113859
N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride
CID 21435434
2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol
CID 63468880
3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea
CID 54879606
3-(3-tricyclo[3.3.1.03,7]nonanyl)propan-1-ol
CID 130130448

Frequently Asked Questions

What is the IUPAC name of 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride?
The IUPAC name of 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride (CID 2865633) is 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride?
The canonical SMILES for 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride is CN(CCCO)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride?
The InChIKey is GBEBDRLQOUNCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO.ClH/c1-15(3-2-4-16)14-8-11-5-12(9-14)7-13(6-11)10-14;/h11-13,16H,2-10H2,1H3;1H.
What are the key properties of 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride?
3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride has a molecular weight of 259.82 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride is sourced from PubChem (CID 2865633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).