12-(tert-butylamino)dodecan-1-ol

C16H35NO — CID 159274393

IUPAC12-(tert-butylamino)dodecan-1-ol
SMILESCC(C)(C)NCCCCCCCCCCCCO
InChIInChI=1S/C16H35NO/c1-16(2,3)17-14-12-10-8-6-4-5-7-9-11-13-15-18/h17-18H,4-15H2,1-3H3
InChIKeyHJQZNXKNDXMCOK-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.27
Rot. Bonds12

About 12-(tert-butylamino)dodecan-1-ol

12-(tert-butylamino)dodecan-1-ol (PubChem CID 159274393) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 12-(tert-butylamino)dodecan-1-ol.

Molecular Properties

Compound Name12-(tert-butylamino)dodecan-1-ol
PubChem CID159274393
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name12-(tert-butylamino)dodecan-1-ol
SMILESCC(C)(C)NCCCCCCCCCCCCO
InChIInChI=1S/C16H35NO/c1-16(2,3)17-14-12-10-8-6-4-5-7-9-11-13-15-18/h17-18H,4-15H2,1-3H3
InChIKeyHJQZNXKNDXMCOK-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
CID 103873312
6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol
CID 107703422
N-tert-butylnonadecan-1-amine
CID 87846739
2-(hydroxymethyl)-2-(5-hydroxypentylamino)propane-1,3-diol
CID 107852422
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
2-[7-(tert-butylamino)heptylamino]propane-2-thiol
CID 138467332
3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol
CID 159453703
2-[3-(tert-butylamino)propoxy]ethanol
CID 150900173
8-(tert-butylamino)-2,2-dimethyloctan-3-one
CID 58895617
14-(tert-butylamino)-2,2-dimethyltetradecan-3-one
CID 58895700
N-butyl-N'-tert-butyloctane-1,8-diamine
CID 159630261
6-(2,2-dimethylpropylamino)hexan-1-ol
CID 115909001

Frequently Asked Questions

What is the IUPAC name of 12-(tert-butylamino)dodecan-1-ol?
The IUPAC name of 12-(tert-butylamino)dodecan-1-ol (CID 159274393) is 12-(tert-butylamino)dodecan-1-ol.
What is the SMILES notation for 12-(tert-butylamino)dodecan-1-ol?
The canonical SMILES for 12-(tert-butylamino)dodecan-1-ol is CC(C)(C)NCCCCCCCCCCCCO.
What is the InChIKey of 12-(tert-butylamino)dodecan-1-ol?
The InChIKey is HJQZNXKNDXMCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-16(2,3)17-14-12-10-8-6-4-5-7-9-11-13-15-18/h17-18H,4-15H2,1-3H3.
What are the key properties of 12-(tert-butylamino)dodecan-1-ol?
12-(tert-butylamino)dodecan-1-ol has a molecular weight of 257.46 g/mol, XLogP of 4.27, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(tert-butylamino)dodecan-1-ol is sourced from PubChem (CID 159274393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).