N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine

C6H13N3 — CID 89084459

IUPACN'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine
SMILES[H]/N=C/C=C\N(C)CCN
InChIInChI=1S/C6H13N3/c1-9(6-4-8)5-2-3-7/h2-3,5,7H,4,6,8H2,1H3/b5-2-,7-3+
InChIKeyJGARPJQLOIQRSK-CGHHVMRMSA-N
MW127.19 g/mol
LogP0.04
Rot. Bonds4

About N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine

N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine (PubChem CID 89084459) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine
PubChem CID89084459
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine
SMILES[H]/N=C/C=C\N(C)CCN
InChIInChI=1S/C6H13N3/c1-9(6-4-8)5-2-3-7/h2-3,5,7H,4,6,8H2,1H3/b5-2-,7-3+
InChIKeyJGARPJQLOIQRSK-CGHHVMRMSA-N
XLogP0.04
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(aminomethyl)-N-methylmethanimidamide
CID 173489214
ethane;(2Z,4E)-hexa-2,4-dien-1-imine
CID 143495336
(Z)-N'-propylideneprop-2-ene-1,3-diimine
CID 123520631
N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline
CID 118297015
(Z)-4-methylhept-2-en-1-imine
CID 123491020
2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine
CID 135301235
N'-dimethylsilyl-N'-methylethane-1,2-diamine
CID 175248542
(1E)-N-methyl-N-propylbuta-1,3-dien-1-amine
CID 142943331
N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine
CID 118121074
octa-2,6-dien-1-imine
CID 172654188
N-(3-aminopropyl)-N-methylethanimidamide
CID 166905303
4-[methanimidoyl(methyl)amino]butanamide
CID 144851146

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine (CID 89084459) is N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine is [H]/N=C/C=C\N(C)CCN.
What is the InChIKey of N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine?
The InChIKey is JGARPJQLOIQRSK-CGHHVMRMSA-N. The full InChI is InChI=1S/C6H13N3/c1-9(6-4-8)5-2-3-7/h2-3,5,7H,4,6,8H2,1H3/b5-2-,7-3+.
What are the key properties of N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine?
N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine has a molecular weight of 127.19 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-iminoprop-1-enyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 89084459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).