(4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol

C14H31NO — CID 162697107

IUPAC(4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol
SMILESCC(C)(C)CC[C@@H](CCCO)NC(C)(C)C
InChIInChI=1S/C14H31NO/c1-13(2,3)10-9-12(8-7-11-16)15-14(4,5)6/h12,15-16H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyDQMSNQIXWCLVOP-GFCCVEGCSA-N
MW229.41 g/mol
LogP3.34
Rot. Bonds6

About (4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol

(4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol (PubChem CID 162697107) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is (4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol.

Molecular Properties

Compound Name(4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol
PubChem CID162697107
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name(4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol
SMILESCC(C)(C)CC[C@@H](CCCO)NC(C)(C)C
InChIInChI=1S/C14H31NO/c1-13(2,3)10-9-12(8-7-11-16)15-14(4,5)6/h12,15-16H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyDQMSNQIXWCLVOP-GFCCVEGCSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol?
The IUPAC name of (4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol (CID 162697107) is (4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol.
What is the SMILES notation for (4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol?
The canonical SMILES for (4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol is CC(C)(C)CC[C@@H](CCCO)NC(C)(C)C.
What is the InChIKey of (4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol?
The InChIKey is DQMSNQIXWCLVOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H31NO/c1-13(2,3)10-9-12(8-7-11-16)15-14(4,5)6/h12,15-16H,7-11H2,1-6H3/t12-/m1/s1.
What are the key properties of (4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol?
(4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol is sourced from PubChem (CID 162697107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).