N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine

C6H12N2 — CID 90211188

IUPACN-methyl-N-[(E)-prop-2-enylideneamino]ethanamine
SMILESC=C/C=N/N(C)CC
InChIInChI=1S/C6H12N2/c1-4-6-7-8(3)5-2/h4,6H,1,5H2,2-3H3/b7-6+
InChIKeyBEJAHIDVPCSWOT-VOTSOKGWSA-N
MW112.18 g/mol
LogP1.11
Rot. Bonds3

About N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine

N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine (PubChem CID 90211188) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-prop-2-enylideneamino]ethanamine
PubChem CID90211188
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-methyl-N-[(E)-prop-2-enylideneamino]ethanamine
SMILESC=C/C=N/N(C)CC
InChIInChI=1S/C6H12N2/c1-4-6-7-8(3)5-2/h4,6H,1,5H2,2-3H3/b7-6+
InChIKeyBEJAHIDVPCSWOT-VOTSOKGWSA-N
XLogP1.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylprop-2-enylideneamino)ethanamine
CID 123532082
ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid
CID 143604684
N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine
CID 534315
N-amino-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine
CID 167227928
N-(1,2-13C2)ethyl-N-(113C)methylnitrous amide
CID 171380411
N-octylprop-2-en-1-imine
CID 174329856
ethane;N-ethenyl-N-methylethanamine
CID 176944347
(Z)-N-ethyl-1-(prop-2-enylideneamino)-N-propylprop-1-en-1-amine
CID 174008881
(Z)-N-(ethyldiazenyl)prop-2-en-1-imine
CID 143328990
N-methyl-2-(prop-2-enylideneamino)ethanamine
CID 143321969
N-[(Z)-aminodiazenyl]-N-methylethanamine
CID 130177557
N-ethenylsilyl-N-methylethanamine
CID 154082739

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine?
The IUPAC name of N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine (CID 90211188) is N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine.
What is the SMILES notation for N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine?
The canonical SMILES for N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine is C=C/C=N/N(C)CC.
What is the InChIKey of N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine?
The InChIKey is BEJAHIDVPCSWOT-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6-7-8(3)5-2/h4,6H,1,5H2,2-3H3/b7-6+.
What are the key properties of N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine?
N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine has a molecular weight of 112.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine is sourced from PubChem (CID 90211188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).