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

C13H25NO — CID 106654895

IUPAC2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol
SMILESCC(C)(C)NCC(O)C1=CCCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)14-10-12(15)11-8-6-4-5-7-9-11/h8,12,14-15H,4-7,9-10H2,1-3H3
InChIKeyUUURCRSWAIQUNE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds3

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

2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol (PubChem CID 106654895) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol
PubChem CID106654895
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol
SMILESCC(C)(C)NCC(O)C1=CCCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)14-10-12(15)11-8-6-4-5-7-9-11/h8,12,14-15H,4-7,9-10H2,1-3H3
InChIKeyUUURCRSWAIQUNE-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
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-(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
7-(2,3,6,7-tetrahydro-1H-azepin-4-yl)heptan-1-ol
CID 67951253
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
Ethane;[2-(ethylamino)cyclohepten-1-yl]methanol
CID 143063219
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-(cyclohepten-1-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol (CID 106654895) is 2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol is CC(C)(C)NCC(O)C1=CCCCCC1.
What is the InChIKey of 2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol?
The InChIKey is UUURCRSWAIQUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)14-10-12(15)11-8-6-4-5-7-9-11/h8,12,14-15H,4-7,9-10H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol?
2-(tert-butylamino)-1-(cyclohepten-1-yl)ethanol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 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-(cyclohepten-1-yl)ethanol is sourced from PubChem (CID 106654895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).