ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine

C17H42N8 — CID 162375041

IUPACethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine
SMILESCC/N=C/C=N/CCNCC/N=C/CNCCN.CCN.CCNC
InChIInChI=1S/C12H26N6.C3H9N.C2H7N/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13;1-3-4-2;1-2-3/h5-6,8,15,18H,2-4,7,9-13H2,1H3;4H,3H2,1-2H3;2-3H2,1H3/b14-5+,16-6+,17-8+;;
InChIKeyYRHWZPCZCWRYIY-HBXBXOHASA-N
MW358.58 g/mol
LogP-0.45
Rot. Bonds13

About ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine

ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine (PubChem CID 162375041) has the molecular formula C17H42N8 and a molecular weight of 358.58 g/mol. Its IUPAC name is ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine.

Molecular Properties

Compound Nameethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine
PubChem CID162375041
Molecular FormulaC17H42N8
Molecular Weight358.58 g/mol
Exact Mass358.35
IUPAC Nameethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine
SMILESCC/N=C/C=N/CCNCC/N=C/CNCCN.CCN.CCNC
InChIInChI=1S/C12H26N6.C3H9N.C2H7N/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13;1-3-4-2;1-2-3/h5-6,8,15,18H,2-4,7,9-13H2,1H3;4H,3H2,1-2H3;2-3H2,1H3/b14-5+,16-6+,17-8+;;
InChIKeyYRHWZPCZCWRYIY-HBXBXOHASA-N
XLogP-0.45
TPSA125.21 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.58
LogP ≤ 5-0.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylpropylideneamino)ethyl]ethane-1,2-diamine
CID 88832515
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
λ2-plumbane;N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 174769058
N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140
N'-[(2Z)-2-(ethylhydrazinylidene)ethyl]-N-methylmethanediamine
CID 172981341
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
azane;N'-propylethane-1,2-diamine
CID 87476258
N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
CID 15001042
N-methyl-2-(prop-2-enylideneamino)ethanamine
CID 143321969
[[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium
CID 173273785
5-(butylideneamino)pentan-1-amine
CID 58308982

Frequently Asked Questions

What is the IUPAC name of ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine?
The IUPAC name of ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine (CID 162375041) is ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine.
What is the SMILES notation for ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine?
The canonical SMILES for ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine is CC/N=C/C=N/CCNCC/N=C/CNCCN.CCN.CCNC.
What is the InChIKey of ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine?
The InChIKey is YRHWZPCZCWRYIY-HBXBXOHASA-N. The full InChI is InChI=1S/C12H26N6.C3H9N.C2H7N/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13;1-3-4-2;1-2-3/h5-6,8,15,18H,2-4,7,9-13H2,1H3;4H,3H2,1-2H3;2-3H2,1H3/b14-5+,16-6+,17-8+;;.
What are the key properties of ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine?
ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine has a molecular weight of 358.58 g/mol, XLogP of -0.45, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;N'-[2-[2-[2-(2-ethyliminoethylideneamino)ethylamino]ethylimino]ethyl]ethane-1,2-diamine;N-methylethanamine is sourced from PubChem (CID 162375041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).