(5S)-1-(tert-butylamino)decan-5-ol

C14H31NO — CID 118890098

IUPAC(5S)-1-(tert-butylamino)decan-5-ol
SMILESCCCCC[C@H](O)CCCCNC(C)(C)C
InChIInChI=1S/C14H31NO/c1-5-6-7-10-13(16)11-8-9-12-15-14(2,3)4/h13,15-16H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyJMHXJFBZXSAFBM-ZDUSSCGKSA-N
MW229.41 g/mol
LogP3.49
Rot. Bonds9

About (5S)-1-(tert-butylamino)decan-5-ol

(5S)-1-(tert-butylamino)decan-5-ol (PubChem CID 118890098) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is (5S)-1-(tert-butylamino)decan-5-ol.

Molecular Properties

Compound Name(5S)-1-(tert-butylamino)decan-5-ol
PubChem CID118890098
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name(5S)-1-(tert-butylamino)decan-5-ol
SMILESCCCCC[C@H](O)CCCCNC(C)(C)C
InChIInChI=1S/C14H31NO/c1-5-6-7-10-13(16)11-8-9-12-15-14(2,3)4/h13,15-16H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyJMHXJFBZXSAFBM-ZDUSSCGKSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-1-(tert-butylamino)decan-5-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-tert-butylnonadecan-1-amine
CID 87846739
1-(tert-butylamino)octan-2-ol
CID 62774713
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
octadecane-8,11-diol
CID 101412726
(7R)-18-(heptadecylamino)octadecan-7-ol
CID 88529231
tetratetracontan-22-ol
CID 91434437
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(tert-butylamino)decan-5-ol?
The IUPAC name of (5S)-1-(tert-butylamino)decan-5-ol (CID 118890098) is (5S)-1-(tert-butylamino)decan-5-ol.
What is the SMILES notation for (5S)-1-(tert-butylamino)decan-5-ol?
The canonical SMILES for (5S)-1-(tert-butylamino)decan-5-ol is CCCCC[C@H](O)CCCCNC(C)(C)C.
What is the InChIKey of (5S)-1-(tert-butylamino)decan-5-ol?
The InChIKey is JMHXJFBZXSAFBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-6-7-10-13(16)11-8-9-12-15-14(2,3)4/h13,15-16H,5-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (5S)-1-(tert-butylamino)decan-5-ol?
(5S)-1-(tert-butylamino)decan-5-ol has a molecular weight of 229.41 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(tert-butylamino)decan-5-ol is sourced from PubChem (CID 118890098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).