[amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium

C11H15N2O+ — CID 102149701

IUPAC[amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium
SMILESNC(=[NH2+])OCC1(c2ccccc2)CC1
InChIInChI=1S/C11H14N2O/c12-10(13)14-8-11(6-7-11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,12,13)/p+1
InChIKeyVVAKLRWHGCIRJY-UHFFFAOYSA-O
MW191.25 g/mol
LogP-0.19
Rot. Bonds3

About [amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium

[amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium (PubChem CID 102149701) has the molecular formula C11H15N2O+ and a molecular weight of 191.25 g/mol. Its IUPAC name is [amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium.

Molecular Properties

Compound Name[amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium
PubChem CID102149701
Molecular FormulaC11H15N2O+
Molecular Weight191.25 g/mol
Exact Mass191.12
IUPAC Name[amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium
SMILESNC(=[NH2+])OCC1(c2ccccc2)CC1
InChIInChI=1S/C11H14N2O/c12-10(13)14-8-11(6-7-11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,12,13)/p+1
InChIKeyVVAKLRWHGCIRJY-UHFFFAOYSA-O
XLogP-0.19
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.19
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

1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene
CID 58993631
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
(1-phenylcyclopropyl)methanesulfonamide
CID 112639905
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 110914388
[amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium
CID 4625533
[1-(4-phenylphenyl)cyclopropyl]methanamine
CID 82287223
1,3-diphenyl-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 135017707
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
CID 110471120

Frequently Asked Questions

What is the IUPAC name of [amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium?
The IUPAC name of [amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium (CID 102149701) is [amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium.
What is the SMILES notation for [amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium?
The canonical SMILES for [amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium is NC(=[NH2+])OCC1(c2ccccc2)CC1.
What is the InChIKey of [amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium?
The InChIKey is VVAKLRWHGCIRJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N2O/c12-10(13)14-8-11(6-7-11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,12,13)/p+1.
What are the key properties of [amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium?
[amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium has a molecular weight of 191.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(1-phenylcyclopropyl)methoxy]methylidene]azanium is sourced from PubChem (CID 102149701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).