1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine

C10H18N2O — CID 174151440

IUPAC1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(N)OCC1(CC)CCC1
InChIInChI=1S/C10H18N2O/c1-2-10(5-3-6-10)8-13-9(12)4-7-11/h4,7,11H,2-3,5-6,8,12H2,1H3/b9-4?,11-7+
InChIKeyAKRQBBSOJSOPBL-JKQLGURHSA-N
MW182.27 g/mol
LogP2.03
Rot. Bonds5

About 1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine

1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine (PubChem CID 174151440) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine
PubChem CID174151440
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(N)OCC1(CC)CCC1
InChIInChI=1S/C10H18N2O/c1-2-10(5-3-6-10)8-13-9(12)4-7-11/h4,7,11H,2-3,5-6,8,12H2,1H3/b9-4?,11-7+
InChIKeyAKRQBBSOJSOPBL-JKQLGURHSA-N
XLogP2.03
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[3-Amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium
CID 163551557
1-[(1-Ethylcyclopropyl)methoxy]-3-iminoprop-1-en-1-amine
CID 163551558
3-Imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine
CID 174151441
3-Imino-1-[(2,2,3,3-tetramethylcyclopropyl)methoxy]prop-1-en-1-amine
CID 174151535

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine?
The IUPAC name of 1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine (CID 174151440) is 1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine is [H]/N=C/C=C(N)OCC1(CC)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine?
The InChIKey is AKRQBBSOJSOPBL-JKQLGURHSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-10(5-3-6-10)8-13-9(12)4-7-11/h4,7,11H,2-3,5-6,8,12H2,1H3/b9-4?,11-7+.
What are the key properties of 1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine?
1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine has a molecular weight of 182.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methoxy]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 174151440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).