N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane

C13H31N3 — CID 142097633

IUPACN'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
SMILESCC.CC.CCCN(C)/C(C)=N/C=C(\C)N
InChIInChI=1S/C9H19N3.2C2H6/c1-5-6-12(4)9(3)11-7-8(2)10;2*1-2/h7H,5-6,10H2,1-4H3;2*1-2H3/b8-7+,11-9+;;
InChIKeyVBOOVHJPASLQCM-FCVSQAIQSA-N
MW229.41 g/mol
LogP3.62
Rot. Bonds3

About N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane

N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane (PubChem CID 142097633) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane.

Molecular Properties

Compound NameN'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
PubChem CID142097633
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC NameN'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
SMILESCC.CC.CCCN(C)/C(C)=N/C=C(\C)N
InChIInChI=1S/C9H19N3.2C2H6/c1-5-6-12(4)9(3)11-7-8(2)10;2*1-2/h7H,5-6,10H2,1-4H3;2*1-2H3/b8-7+,11-9+;;
InChIKeyVBOOVHJPASLQCM-FCVSQAIQSA-N
XLogP3.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-methyl-N,N'-dipropylethanimidamide
CID 146184290
(Z)-1-(2-methylpentan-3-ylideneamino)prop-1-en-2-amine
CID 138719703
(Z)-1-(propylideneamino)prop-1-en-2-amine
CID 144543609
N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide
CID 156729247
N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide
CID 147053422
(2Z)-4-[methyl(propyl)amino]penta-2,4-dienal
CID 168967318
N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane
CID 143929695
2-[methyl(propyl)amino]prop-2-enyl acetate
CID 163468141
(Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine
CID 167147097
N-methyl-N-propylacetamide;octadecanamide
CID 174331077
1,1,2,3-tetramethyl-3-propylguanidine
CID 54549543
(E)-N-methyl-N-propylhex-3-en-3-amine
CID 155199527

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane?
The IUPAC name of N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane (CID 142097633) is N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane.
What is the SMILES notation for N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane?
The canonical SMILES for N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane is CC.CC.CCCN(C)/C(C)=N/C=C(\C)N.
What is the InChIKey of N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane?
The InChIKey is VBOOVHJPASLQCM-FCVSQAIQSA-N. The full InChI is InChI=1S/C9H19N3.2C2H6/c1-5-6-12(4)9(3)11-7-8(2)10;2*1-2/h7H,5-6,10H2,1-4H3;2*1-2H3/b8-7+,11-9+;;.
What are the key properties of N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane?
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane has a molecular weight of 229.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane is sourced from PubChem (CID 142097633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).