2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol

C14H27NO — CID 106654896

IUPAC2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol
SMILESCC(C)(C)NCC(O)C1=CCCCCCC1
InChIInChI=1S/C14H27NO/c1-14(2,3)15-11-13(16)12-9-7-5-4-6-8-10-12/h9,13,15-16H,4-8,10-11H2,1-3H3
InChIKeyHHBCCJDYVRNETC-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.02
Rot. Bonds3

About 2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol

2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol (PubChem CID 106654896) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol
PubChem CID106654896
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol
SMILESCC(C)(C)NCC(O)C1=CCCCCCC1
InChIInChI=1S/C14H27NO/c1-14(2,3)15-11-13(16)12-9-7-5-4-6-8-10-12/h9,13,15-16H,4-8,10-11H2,1-3H3
InChIKeyHHBCCJDYVRNETC-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.02
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

cis-(1R,2R,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24936063
2-Amino-1-cyclooct-1-enyl-ethanol
CID 44272154
2-Amino-1-(cycloocten-1-yl)ethanol
CID 54016638
2-(Tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride
CID 24870737
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide
CID 118920479
1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
CID 123328567
(E,2S,3R)-2-(2-hydroxyhexacosylamino)octadec-4-ene-1,3-diol
CID 140532269
cyclobutane;(1S,2E,18S)-18-(hexadecylamino)cyclooctadec-2-en-1-ol
CID 145097794
(2E,3Z)-1-(azepan-2-yl)-2-ethylidenehexa-3,5-dien-1-ol
CID 155088663
[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol
CID 166839766
(1R)-2-(methylamino)cyclooct-2-en-1-ol
CID 170101535

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol (CID 106654896) is 2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol is CC(C)(C)NCC(O)C1=CCCCCCC1.
What is the InChIKey of 2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol?
The InChIKey is HHBCCJDYVRNETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2,3)15-11-13(16)12-9-7-5-4-6-8-10-12/h9,13,15-16H,4-8,10-11H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol?
2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol has a molecular weight of 225.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(cycloocten-1-yl)ethanol is sourced from PubChem (CID 106654896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).