2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine

C9H16N2O — CID 174357445

IUPAC2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine
SMILESCC(=CN)/C(C)=N/C1CCOC1
InChIInChI=1S/C9H16N2O/c1-7(5-10)8(2)11-9-3-4-12-6-9/h5,9H,3-4,6,10H2,1-2H3/b7-5?,11-8+
InChIKeyHIRBZZZPCZQKOZ-IVBHRAGMSA-N
MW168.24 g/mol
LogP1.10
Rot. Bonds2

About 2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine

2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine (PubChem CID 174357445) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine.

Molecular Properties

Compound Name2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine
PubChem CID174357445
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine
SMILESCC(=CN)/C(C)=N/C1CCOC1
InChIInChI=1S/C9H16N2O/c1-7(5-10)8(2)11-9-3-4-12-6-9/h5,9H,3-4,6,10H2,1-2H3/b7-5?,11-8+
InChIKeyHIRBZZZPCZQKOZ-IVBHRAGMSA-N
XLogP1.10
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide
CID 123903691
2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine
CID 148723063
(3S)-3-nitrosooxolane
CID 129110439
2-[(E)-1-amino-3-methyliminobut-1-en-2-yl]imino-N-(oxolan-3-yl)propanamide
CID 145312592
1-(oxetan-3-ylimino)but-2-ene-2,3-diamine
CID 163502502
(3R)-3-isocyanatooxolane
CID 86627733
2-cyclopropyl-1-methyl-1-(oxolan-3-yl)guanidine
CID 78967151
(1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium
CID 177234826
1-amino-2-(1,4-dioxepan-6-yl)guanidine
CID 126996388
ethane;(3R)-oxolan-3-ol
CID 145226146
2-methyl-3-(oxan-4-yl)prop-2-en-1-amine
CID 79330279
ethene;1-methylidene-2-(oxan-4-yl)guanidine
CID 156898460

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine?
The IUPAC name of 2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine (CID 174357445) is 2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine.
What is the SMILES notation for 2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine?
The canonical SMILES for 2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine is CC(=CN)/C(C)=N/C1CCOC1.
What is the InChIKey of 2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine?
The InChIKey is HIRBZZZPCZQKOZ-IVBHRAGMSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(5-10)8(2)11-9-3-4-12-6-9/h5,9H,3-4,6,10H2,1-2H3/b7-5?,11-8+.
What are the key properties of 2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine?
2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine is sourced from PubChem (CID 174357445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).