5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine

C21H45N5 — CID 123160559

IUPAC5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine
SMILESC=C(CCNC)CC(CCCCCNC)(C/N=C/CCNCC)NCC
InChIInChI=1S/C21H45N5/c1-6-24-15-11-16-25-19-21(26-7-2,13-9-8-10-14-22-4)18-20(3)12-17-23-5/h16,22-24,26H,3,6-15,17-19H2,1-2,4-5H3/b25-16+
InChIKeyRFNQKOBGYDQNLI-PCLIKHOPSA-N
MW367.63 g/mol
LogP2.74
Rot. Bonds19

About 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine

5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine (PubChem CID 123160559) has the molecular formula C21H45N5 and a molecular weight of 367.63 g/mol. Its IUPAC name is 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine.

Molecular Properties

Compound Name5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine
PubChem CID123160559
Molecular FormulaC21H45N5
Molecular Weight367.63 g/mol
Exact Mass367.37
IUPAC Name5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine
SMILESC=C(CCNC)CC(CCCCCNC)(C/N=C/CCNCC)NCC
InChIInChI=1S/C21H45N5/c1-6-24-15-11-16-25-19-21(26-7-2,13-9-8-10-14-22-4)18-20(3)12-17-23-5/h16,22-24,26H,3,6-15,17-19H2,1-2,4-5H3/b25-16+
InChIKeyRFNQKOBGYDQNLI-PCLIKHOPSA-N
XLogP2.74
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine with MolForge

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Related Compounds

2-N-[7-(ethylideneamino)-2-methyloctyl]-5-(methylideneamino)hept-6-ene-1,2-diamine
CID 91530227
(8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine
CID 143377856

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine?
The IUPAC name of 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine (CID 123160559) is 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine.
What is the SMILES notation for 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine?
The canonical SMILES for 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine is C=C(CCNC)CC(CCCCCNC)(C/N=C/CCNCC)NCC.
What is the InChIKey of 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine?
The InChIKey is RFNQKOBGYDQNLI-PCLIKHOPSA-N. The full InChI is InChI=1S/C21H45N5/c1-6-24-15-11-16-25-19-21(26-7-2,13-9-8-10-14-22-4)18-20(3)12-17-23-5/h16,22-24,26H,3,6-15,17-19H2,1-2,4-5H3/b25-16+.
What are the key properties of 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine?
5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine has a molecular weight of 367.63 g/mol, XLogP of 2.74, 19 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine is sourced from PubChem (CID 123160559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).