1-(tert-butylamino)-2-methylnonan-2-ol

C14H31NO — CID 62774519

IUPAC1-(tert-butylamino)-2-methylnonan-2-ol
SMILESCCCCCCCC(C)(O)CNC(C)(C)C
InChIInChI=1S/C14H31NO/c1-6-7-8-9-10-11-14(5,16)12-15-13(2,3)4/h15-16H,6-12H2,1-5H3
InChIKeyNLZASRJBDBRKEB-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.49
Rot. Bonds8

About 1-(tert-butylamino)-2-methylnonan-2-ol

1-(tert-butylamino)-2-methylnonan-2-ol (PubChem CID 62774519) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-methylnonan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-methylnonan-2-ol
PubChem CID62774519
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-(tert-butylamino)-2-methylnonan-2-ol
SMILESCCCCCCCC(C)(O)CNC(C)(C)C
InChIInChI=1S/C14H31NO/c1-6-7-8-9-10-11-14(5,16)12-15-13(2,3)4/h15-16H,6-12H2,1-5H3
InChIKeyNLZASRJBDBRKEB-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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'}

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Related Compounds

2-methyl-1-(methylamino)undecan-2-ol
CID 66039125
13-methylheptacosan-13-ol
CID 87343529
1-(cyclopropylamino)-2-methyloctan-2-ol
CID 62774325
4,7-dimethylpentadecane-4,7-diol
CID 89335583
N-tert-butyl-2-ethyl-2-methylheptan-1-amine
CID 63508148
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
CID 83151435
2,5-dimethyloctadecane-2,5-diol
CID 90439837
azane;3-methylhenicosan-3-ol;hydrochloride
CID 173459542
3-methyl-1-sulfanylnonan-3-ol
CID 142712851
2,4-dimethylnonan-4-ol
CID 3018500
N-tert-butyl-2-methyl-2-propan-2-ylheptan-1-amine
CID 83150707
2-methyldodecan-2-ol
CID 547702

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-methylnonan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-methylnonan-2-ol (CID 62774519) is 1-(tert-butylamino)-2-methylnonan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-methylnonan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-methylnonan-2-ol is CCCCCCCC(C)(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-2-methylnonan-2-ol?
The InChIKey is NLZASRJBDBRKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-7-8-9-10-11-14(5,16)12-15-13(2,3)4/h15-16H,6-12H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-2-methylnonan-2-ol?
1-(tert-butylamino)-2-methylnonan-2-ol has a molecular weight of 229.41 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-methylnonan-2-ol is sourced from PubChem (CID 62774519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).