(3E)-3-but-2-ynoxyiminopropan-1-amine

C7H12N2O — CID 58684293

IUPAC(3E)-3-but-2-ynoxyiminopropan-1-amine
SMILESCC#CCO/N=C/CCN
InChIInChI=1S/C7H12N2O/c1-2-3-7-10-9-6-4-5-8/h6H,4-5,7-8H2,1H3/b9-6+
InChIKeyCSPPEIKXNLBPAB-RMKNXTFCSA-N
MW140.19 g/mol
LogP0.36
Rot. Bonds4

About (3E)-3-but-2-ynoxyiminopropan-1-amine

(3E)-3-but-2-ynoxyiminopropan-1-amine (PubChem CID 58684293) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3E)-3-but-2-ynoxyiminopropan-1-amine.

Molecular Properties

Compound Name(3E)-3-but-2-ynoxyiminopropan-1-amine
PubChem CID58684293
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3E)-3-but-2-ynoxyiminopropan-1-amine
SMILESCC#CCO/N=C/CCN
InChIInChI=1S/C7H12N2O/c1-2-3-7-10-9-6-4-5-8/h6H,4-5,7-8H2,1H3/b9-6+
InChIKeyCSPPEIKXNLBPAB-RMKNXTFCSA-N
XLogP0.36
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(2-ethoxyethoxyimino)propan-1-amine
CID 58684278
(3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine
CID 58684963
(3E)-3-propan-2-yloxyiminopropan-1-amine
CID 58684159
(Z)-N-but-2-ynoxy-1-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]methanimine
CID 88605421
(NE)-N-(3-aminopropylidene)hydroxylamine
CID 58684999
3-[(E)-propylideneamino]oxypropan-1-amine
CID 58685004
ethane;(Z)-N-ethoxybutan-1-imine
CID 164540102
but-2-ynyl prop-2-enoate
CID 14910874
N'-but-2-ynoxythiophene-2-carboximidamide
CID 126809551
2-[(Z)-ethylideneamino]oxyethanamine
CID 158601365
1-(1,1-difluoroethoxy)but-2-yne
CID 90125016
4-(but-2-ynoxymethyl)piperidine
CID 62340239

Frequently Asked Questions

What is the IUPAC name of (3E)-3-but-2-ynoxyiminopropan-1-amine?
The IUPAC name of (3E)-3-but-2-ynoxyiminopropan-1-amine (CID 58684293) is (3E)-3-but-2-ynoxyiminopropan-1-amine.
What is the SMILES notation for (3E)-3-but-2-ynoxyiminopropan-1-amine?
The canonical SMILES for (3E)-3-but-2-ynoxyiminopropan-1-amine is CC#CCO/N=C/CCN.
What is the InChIKey of (3E)-3-but-2-ynoxyiminopropan-1-amine?
The InChIKey is CSPPEIKXNLBPAB-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-7-10-9-6-4-5-8/h6H,4-5,7-8H2,1H3/b9-6+.
What are the key properties of (3E)-3-but-2-ynoxyiminopropan-1-amine?
(3E)-3-but-2-ynoxyiminopropan-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-but-2-ynoxyiminopropan-1-amine is sourced from PubChem (CID 58684293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).