3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine

C9H16N2O — CID 174151441

IUPAC3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine
SMILES[H]/N=C/C=C(N)OCC1(C)CCC1
InChIInChI=1S/C9H16N2O/c1-9(4-2-5-9)7-12-8(11)3-6-10/h3,6,10H,2,4-5,7,11H2,1H3/b8-3?,10-6+
InChIKeyIRGSEAKMVCFQJS-CGXJYHLTSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds4

About 3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine

3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine (PubChem CID 174151441) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine.

Molecular Properties

Compound Name3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine
PubChem CID174151441
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine
SMILES[H]/N=C/C=C(N)OCC1(C)CCC1
InChIInChI=1S/C9H16N2O/c1-9(4-2-5-9)7-12-8(11)3-6-10/h3,6,10H,2,4-5,7,11H2,1H3/b8-3?,10-6+
InChIKeyIRGSEAKMVCFQJS-CGXJYHLTSA-N
XLogP1.64
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of 3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine?
The IUPAC name of 3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine (CID 174151441) is 3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine.
What is the SMILES notation for 3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine?
The canonical SMILES for 3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine is [H]/N=C/C=C(N)OCC1(C)CCC1.
What is the InChIKey of 3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine?
The InChIKey is IRGSEAKMVCFQJS-CGXJYHLTSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(4-2-5-9)7-12-8(11)3-6-10/h3,6,10H,2,4-5,7,11H2,1H3/b8-3?,10-6+.
What are the key properties of 3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine?
3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-1-[(1-methylcyclobutyl)methoxy]prop-1-en-1-amine is sourced from PubChem (CID 174151441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).