1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol

C14H27NO — CID 106654899

IUPAC1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)C1=CCCCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)10-15-11-14(16)13-8-6-4-3-5-7-9-13/h8,12,14-16H,3-7,9-11H2,1-2H3
InChIKeyNQPHKDLVRWEZDL-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds5

About 1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol

1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol (PubChem CID 106654899) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol
PubChem CID106654899
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)C1=CCCCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)10-15-11-14(16)13-8-6-4-3-5-7-9-13/h8,12,14-16H,3-7,9-11H2,1-2H3
InChIKeyNQPHKDLVRWEZDL-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
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

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CID 24936063
2-Amino-1-cyclooct-1-enyl-ethanol
CID 44272154
2-Amino-1-(cycloocten-1-yl)ethanol
CID 54016638
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
(1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol
CID 70669966
2-amino-1-[(1E)-cyclodecen-1-yl]ethanol
CID 146330582
(2E,3Z)-1-(azepan-2-yl)-2-ethylidenehexa-3,5-dien-1-ol
CID 155088663
2-[10-Hydroxy-11-(octylamino)undecyl]cyclohexa-1,5-diene-1,3-diol
CID 164127239
[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol
CID 166839766
2-amino-1-[(1E)-cyclononen-1-yl]ethanol
CID 169944438
(1R)-2-(methylamino)cyclooct-2-en-1-ol
CID 170101535
2-ethyl-5-(propan-2-ylamino)-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-ol
CID 177955420

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol (CID 106654899) is 1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol is CC(C)CNCC(O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol?
The InChIKey is NQPHKDLVRWEZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)10-15-11-14(16)13-8-6-4-3-5-7-9-13/h8,12,14-16H,3-7,9-11H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol?
1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 106654899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).