[amino(cyclopentyloxy)methylidene]azanium

C6H13N2O+ — CID 101075675

IUPAC[amino(cyclopentyloxy)methylidene]azanium
SMILESNC(=[NH2+])OC1CCCC1
InChIInChI=1S/C6H12N2O/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8)/p+1
InChIKeyXBICRBQQCAVMSF-UHFFFAOYSA-O
MW129.18 g/mol
LogP-0.98
Rot. Bonds1

About [amino(cyclopentyloxy)methylidene]azanium

[amino(cyclopentyloxy)methylidene]azanium (PubChem CID 101075675) has the molecular formula C6H13N2O+ and a molecular weight of 129.18 g/mol. Its IUPAC name is [amino(cyclopentyloxy)methylidene]azanium.

Molecular Properties

Compound Name[amino(cyclopentyloxy)methylidene]azanium
PubChem CID101075675
Molecular FormulaC6H13N2O+
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name[amino(cyclopentyloxy)methylidene]azanium
SMILESNC(=[NH2+])OC1CCCC1
InChIInChI=1S/C6H12N2O/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8)/p+1
InChIKeyXBICRBQQCAVMSF-UHFFFAOYSA-O
XLogP-0.98
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclononyl carbonate
CID 139618210
carbamothioic S-acid;O-cyclohexyl carbamothioate
CID 174527740
2-O-carbamoyl 1-O-cyclohexyl oxalate
CID 174410162
cyclohexyl (E)-4-amino-4-oxobut-2-enoate
CID 132966691
acetamide;cyclopentyl propanoate
CID 143322096
cycloheptyl hydrogen carbonate
CID 23179405
(6-acetyloxycyclodecyl) acetate
CID 539578
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
cyclohexyl 2,4-diamino-4-oxobutanoate
CID 22005850
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
azane;cyclohexyl hydrogen carbonate
CID 67723937

Frequently Asked Questions

What is the IUPAC name of [amino(cyclopentyloxy)methylidene]azanium?
The IUPAC name of [amino(cyclopentyloxy)methylidene]azanium (CID 101075675) is [amino(cyclopentyloxy)methylidene]azanium.
What is the SMILES notation for [amino(cyclopentyloxy)methylidene]azanium?
The canonical SMILES for [amino(cyclopentyloxy)methylidene]azanium is NC(=[NH2+])OC1CCCC1.
What is the InChIKey of [amino(cyclopentyloxy)methylidene]azanium?
The InChIKey is XBICRBQQCAVMSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2O/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8)/p+1.
What are the key properties of [amino(cyclopentyloxy)methylidene]azanium?
[amino(cyclopentyloxy)methylidene]azanium has a molecular weight of 129.18 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(cyclopentyloxy)methylidene]azanium is sourced from PubChem (CID 101075675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).