4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine

C22H48N2 — CID 135172442

IUPAC4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine
SMILESCCCCCCN(C)CCCC(CC)CCCN(CCC)CCC
InChIInChI=1S/C22H48N2/c1-6-10-11-12-19-23(5)20-13-15-22(9-4)16-14-21-24(17-7-2)18-8-3/h22H,6-21H2,1-5H3
InChIKeyCGWPZGOEFZVRAO-UHFFFAOYSA-N
MW340.64 g/mol
LogP6.21
Rot. Bonds18

About 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine

4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine (PubChem CID 135172442) has the molecular formula C22H48N2 and a molecular weight of 340.64 g/mol. Its IUPAC name is 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine.

Molecular Properties

Compound Name4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine
PubChem CID135172442
Molecular FormulaC22H48N2
Molecular Weight340.64 g/mol
Exact Mass340.38
IUPAC Name4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine
SMILESCCCCCCN(C)CCCC(CC)CCCN(CCC)CCC
InChIInChI=1S/C22H48N2/c1-6-10-11-12-19-23(5)20-13-15-22(9-4)16-14-21-24(17-7-2)18-8-3/h22H,6-21H2,1-5H3
InChIKeyCGWPZGOEFZVRAO-UHFFFAOYSA-N
XLogP6.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N,N-dipropyldodecan-1-amine
CID 174349455
N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
CID 170755235
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N-methyl-N-propyldecan-1-amine
CID 13122225
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine?
The IUPAC name of 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine (CID 135172442) is 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine.
What is the SMILES notation for 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine?
The canonical SMILES for 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine is CCCCCCN(C)CCCC(CC)CCCN(CCC)CCC.
What is the InChIKey of 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine?
The InChIKey is CGWPZGOEFZVRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2/c1-6-10-11-12-19-23(5)20-13-15-22(9-4)16-14-21-24(17-7-2)18-8-3/h22H,6-21H2,1-5H3.
What are the key properties of 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine?
4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine has a molecular weight of 340.64 g/mol, XLogP of 6.21, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine is sourced from PubChem (CID 135172442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).