3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol

C14H27NO — CID 139319943

IUPAC3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol
SMILESC=C1CC(C)(O)CC(CC)(NC(C)(C)C)C1
InChIInChI=1S/C14H27NO/c1-7-14(15-12(3,4)5)9-11(2)8-13(6,16)10-14/h15-16H,2,7-10H2,1,3-6H3
InChIKeyAVPZLFJFRSUNDU-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.01
Rot. Bonds2

About 3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol

3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol (PubChem CID 139319943) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol
PubChem CID139319943
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol
SMILESC=C1CC(C)(O)CC(CC)(NC(C)(C)C)C1
InChIInChI=1S/C14H27NO/c1-7-14(15-12(3,4)5)9-11(2)8-13(6,16)10-14/h15-16H,2,7-10H2,1,3-6H3
InChIKeyAVPZLFJFRSUNDU-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol
CID 139319942
cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol
CID 163779195

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol?
The IUPAC name of 3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol (CID 139319943) is 3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol.
What is the SMILES notation for 3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol?
The canonical SMILES for 3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol is C=C1CC(C)(O)CC(CC)(NC(C)(C)C)C1.
What is the InChIKey of 3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol?
The InChIKey is AVPZLFJFRSUNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-14(15-12(3,4)5)9-11(2)8-13(6,16)10-14/h15-16H,2,7-10H2,1,3-6H3.
What are the key properties of 3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol?
3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol is sourced from PubChem (CID 139319943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).