(5-aminocyclooctyl)carbamic acid

C9H18N2O2 — CID 89189209

IUPAC(5-aminocyclooctyl)carbamic acid
SMILESNC1CCCC(NC(=O)O)CCC1
InChIInChI=1S/C9H18N2O2/c10-7-3-1-5-8(6-2-4-7)11-9(12)13/h7-8,11H,1-6,10H2,(H,12,13)
InChIKeyWMRQXSGSHMJUEG-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.30
Rot. Bonds1

About (5-aminocyclooctyl)carbamic acid

(5-aminocyclooctyl)carbamic acid (PubChem CID 89189209) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (5-aminocyclooctyl)carbamic acid.

Molecular Properties

Compound Name(5-aminocyclooctyl)carbamic acid
PubChem CID89189209
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(5-aminocyclooctyl)carbamic acid
SMILESNC1CCCC(NC(=O)O)CCC1
InChIInChI=1S/C9H18N2O2/c10-7-3-1-5-8(6-2-4-7)11-9(12)13/h7-8,11H,1-6,10H2,(H,12,13)
InChIKeyWMRQXSGSHMJUEG-UHFFFAOYSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexylcarbamic acid;hydrate
CID 172719994
[(1S,3R)-3-aminocyclopentyl]carbamic acid
CID 67513100
(3-aminocyclopentyl)carbamic acid
CID 69243227
[(3R)-3-aminocyclopentyl]carbamic acid
CID 68775558
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 166709107
2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid
CID 130620105
(3-methylcyclohexyl)carbamic acid
CID 67410451
cyclohexyl carbamate;cyclohexylcarbamic acid
CID 161239099
carbonic acid;cyclopropanamine
CID 70000861
(cyclobutylamino)carbamic acid
CID 67059710
carbonic acid;cyclohexane-1,3-diamine
CID 67563163

Frequently Asked Questions

What is the IUPAC name of (5-aminocyclooctyl)carbamic acid?
The IUPAC name of (5-aminocyclooctyl)carbamic acid (CID 89189209) is (5-aminocyclooctyl)carbamic acid.
What is the SMILES notation for (5-aminocyclooctyl)carbamic acid?
The canonical SMILES for (5-aminocyclooctyl)carbamic acid is NC1CCCC(NC(=O)O)CCC1.
What is the InChIKey of (5-aminocyclooctyl)carbamic acid?
The InChIKey is WMRQXSGSHMJUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-7-3-1-5-8(6-2-4-7)11-9(12)13/h7-8,11H,1-6,10H2,(H,12,13).
What are the key properties of (5-aminocyclooctyl)carbamic acid?
(5-aminocyclooctyl)carbamic acid has a molecular weight of 186.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminocyclooctyl)carbamic acid is sourced from PubChem (CID 89189209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).