(1S)-1-(1-aminocycloheptyl)ethanol

C9H19NO — CID 134175207

IUPAC(1S)-1-(1-aminocycloheptyl)ethanol
SMILESC[C@H](O)C1(N)CCCCCC1
InChIInChI=1S/C9H19NO/c1-8(11)9(10)6-4-2-3-5-7-9/h8,11H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyCBOIWGZLBVTSDK-QMMMGPOBSA-N
MW157.26 g/mol
LogP1.42
Rot. Bonds1

About (1S)-1-(1-aminocycloheptyl)ethanol

(1S)-1-(1-aminocycloheptyl)ethanol (PubChem CID 134175207) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1S)-1-(1-aminocycloheptyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-aminocycloheptyl)ethanol
PubChem CID134175207
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1S)-1-(1-aminocycloheptyl)ethanol
SMILESC[C@H](O)C1(N)CCCCCC1
InChIInChI=1S/C9H19NO/c1-8(11)9(10)6-4-2-3-5-7-9/h8,11H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyCBOIWGZLBVTSDK-QMMMGPOBSA-N
XLogP1.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1-aminocyclopropyl)ethanol
CID 124563510
2-(1-aminocycloicosyl)propane-1,1-diol
CID 155410308
potassium;hydride;1-propan-2-ylcyclohexan-1-amine
CID 174666589
1-(3-methylbutan-2-yl)cycloheptan-1-amine
CID 130632001
1-[1-(1-hydroxyethyl)cyclohexyl]ethanol
CID 19424468
2-(1-aminocyclooctyl)propanamide
CID 138738816
2-(1-aminocycloundecyl)-3-methylbutanoic acid
CID 134467183
1-(1-aminocycloheptyl)propan-2-ol
CID 115013932
1-(1-propan-2-ylcyclohexyl)ethanol
CID 69271038
1-(difluoromethyl)cyclooctan-1-amine
CID 80604781
1-(difluoromethyl)cyclododecan-1-amine
CID 80605370
1-[(1S)-1-aminoethyl]cyclohexan-1-ol
CID 92975390

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-aminocycloheptyl)ethanol?
The IUPAC name of (1S)-1-(1-aminocycloheptyl)ethanol (CID 134175207) is (1S)-1-(1-aminocycloheptyl)ethanol.
What is the SMILES notation for (1S)-1-(1-aminocycloheptyl)ethanol?
The canonical SMILES for (1S)-1-(1-aminocycloheptyl)ethanol is C[C@H](O)C1(N)CCCCCC1.
What is the InChIKey of (1S)-1-(1-aminocycloheptyl)ethanol?
The InChIKey is CBOIWGZLBVTSDK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(11)9(10)6-4-2-3-5-7-9/h8,11H,2-7,10H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(1-aminocycloheptyl)ethanol?
(1S)-1-(1-aminocycloheptyl)ethanol has a molecular weight of 157.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-aminocycloheptyl)ethanol is sourced from PubChem (CID 134175207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).