3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol

C16H29NO — CID 114230783

IUPAC3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol
SMILESCN(CCCO)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H29NO/c1-17(4-2-6-18)5-3-16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15,18H,2-12H2,1H3
InChIKeyKPDMNAUEDMFFEG-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.91
Rot. Bonds6

About 3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol

3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol (PubChem CID 114230783) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol
PubChem CID114230783
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol
SMILESCN(CCCO)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H29NO/c1-17(4-2-6-18)5-3-16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15,18H,2-12H2,1H3
InChIKeyKPDMNAUEDMFFEG-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(1-adamantyl)ethyl-methylamino]propan-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-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine
CID 113285775
3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride
CID 2865633
methyl 3-[2-(1-adamantyl)ethyl-methylamino]propanoate
CID 63468846
2-[2-(1-adamantyl)ethyl-butylamino]ethanol
CID 60689159
2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
CID 60692321
2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79702615
N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine
CID 153425161
2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol
CID 63468880
3-[2-(1-adamantyl)ethylsulfanyl]propan-1-ol
CID 66113859
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol
CID 113408982
3-[3-fluoropropyl(methyl)amino]propan-1-ol
CID 126974826

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol?
The IUPAC name of 3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol (CID 114230783) is 3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol is CN(CCCO)CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol?
The InChIKey is KPDMNAUEDMFFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-17(4-2-6-18)5-3-16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15,18H,2-12H2,1H3.
What are the key properties of 3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol?
3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol is sourced from PubChem (CID 114230783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).