3-(dimethylamino)decan-2-ol

C12H27NO — CID 87744632

IUPAC3-(dimethylamino)decan-2-ol
SMILESCCCCCCCC(C(C)O)N(C)C
InChIInChI=1S/C12H27NO/c1-5-6-7-8-9-10-12(11(2)14)13(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyRDCSPGPNNCVKDP-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.66
Rot. Bonds8

About 3-(dimethylamino)decan-2-ol

3-(dimethylamino)decan-2-ol (PubChem CID 87744632) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-(dimethylamino)decan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)decan-2-ol
PubChem CID87744632
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-(dimethylamino)decan-2-ol
SMILESCCCCCCCC(C(C)O)N(C)C
InChIInChI=1S/C12H27NO/c1-5-6-7-8-9-10-12(11(2)14)13(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyRDCSPGPNNCVKDP-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)decan-2-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

1-(dimethylamino)pentadecan-1-ol
CID 87151804
2-(dimethylamino)tetradecane-1,3-diol;hydrochloride
CID 173264316
3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine
CID 87698187
3-[4-(dimethylamino)decan-3-yloxy]-N,N-dimethyldecan-4-amine
CID 87698192
N,N,3-trimethyl-2-silyloxynonadecan-4-amine
CID 123751009
(2R,3S)-dodecane-2,3-diol
CID 163394646
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
N,N,4-trimethylnonan-3-amine
CID 123453361
3-(2-hydroxytetradecan-3-yloxy)tetradecan-2-ol
CID 141007473
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)decan-2-ol?
The IUPAC name of 3-(dimethylamino)decan-2-ol (CID 87744632) is 3-(dimethylamino)decan-2-ol.
What is the SMILES notation for 3-(dimethylamino)decan-2-ol?
The canonical SMILES for 3-(dimethylamino)decan-2-ol is CCCCCCCC(C(C)O)N(C)C.
What is the InChIKey of 3-(dimethylamino)decan-2-ol?
The InChIKey is RDCSPGPNNCVKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-6-7-8-9-10-12(11(2)14)13(3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 3-(dimethylamino)decan-2-ol?
3-(dimethylamino)decan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)decan-2-ol is sourced from PubChem (CID 87744632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).