N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine

C7H17N3 — CID 154968831

IUPACN-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine
SMILESCC/C=N\N(C)CNCC
InChIInChI=1S/C7H17N3/c1-4-6-9-10(3)7-8-5-2/h6,8H,4-5,7H2,1-3H3/b9-6-
InChIKeyDZALUGIUUWJPAB-TWGQIWQCSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds5

About N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine

N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine (PubChem CID 154968831) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine
PubChem CID154968831
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine
SMILESCC/C=N\N(C)CNCC
InChIInChI=1S/C7H17N3/c1-4-6-9-10(3)7-8-5-2/h6,8H,4-5,7H2,1-3H3/b9-6-
InChIKeyDZALUGIUUWJPAB-TWGQIWQCSA-N
XLogP0.88
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-(propylideneamino)formamide
CID 71373891
N-amino-N-[(Z)-propylideneamino]methanamine
CID 146181001
N-(ethylideneamino)-N-(propylideneamino)methanamine
CID 123951853
N-methyl-N-[(Z)-propylideneamino]propan-2-amine
CID 167054285
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
N,N-dichloromethanamine;N-ethylethanamine;hydrochloride
CID 174965794
N-ethylethanamine;platinum
CID 88506582
N-ethylethanamine;yttrium
CID 174702634
N-ethylethanamine;λ2-plumbane
CID 174566138
cerium;N-ethylethanamine
CID 174691303
N-ethylethanamine;titanium(4+)
CID 21151065
N,N-dimethylmethanamine;N-ethylpropan-1-amine
CID 118663401

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine (CID 154968831) is N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine is CC/C=N\N(C)CNCC.
What is the InChIKey of N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine?
The InChIKey is DZALUGIUUWJPAB-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H17N3/c1-4-6-9-10(3)7-8-5-2/h6,8H,4-5,7H2,1-3H3/b9-6-.
What are the key properties of N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine?
N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine has a molecular weight of 143.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[(Z)-propylideneamino]methanediamine is sourced from PubChem (CID 154968831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).