4-N-decyl-3,4-diethylhexane-3,4-diamine

C20H44N2 — CID 150923336

IUPAC4-N-decyl-3,4-diethylhexane-3,4-diamine
SMILESCCCCCCCCCCNC(CC)(CC)C(N)(CC)CC
InChIInChI=1S/C20H44N2/c1-6-11-12-13-14-15-16-17-18-22-20(9-4,10-5)19(21,7-2)8-3/h22H,6-18,21H2,1-5H3
InChIKeyLEMNGEDNTJCJEZ-UHFFFAOYSA-N
MW312.59 g/mol
LogP5.79
Rot. Bonds15

About 4-N-decyl-3,4-diethylhexane-3,4-diamine

4-N-decyl-3,4-diethylhexane-3,4-diamine (PubChem CID 150923336) has the molecular formula C20H44N2 and a molecular weight of 312.59 g/mol. Its IUPAC name is 4-N-decyl-3,4-diethylhexane-3,4-diamine.

Molecular Properties

Compound Name4-N-decyl-3,4-diethylhexane-3,4-diamine
PubChem CID150923336
Molecular FormulaC20H44N2
Molecular Weight312.59 g/mol
Exact Mass312.35
IUPAC Name4-N-decyl-3,4-diethylhexane-3,4-diamine
SMILESCCCCCCCCCCNC(CC)(CC)C(N)(CC)CC
InChIInChI=1S/C20H44N2/c1-6-11-12-13-14-15-16-17-18-22-20(9-4,10-5)19(21,7-2)8-3/h22H,6-18,21H2,1-5H3
InChIKeyLEMNGEDNTJCJEZ-UHFFFAOYSA-N
XLogP5.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.59
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N"-undecylpropane-1,1,1-triamine
CID 54090869
N-(tribromomethyl)hexadecan-1-amine
CID 175543553
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
N-tert-butylnonadecan-1-amine
CID 87846739
N-(trifluoromethyl)hexadecan-1-amine
CID 158402254
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
(hexadecylamino)-(hexylamino)methanedithiol
CID 176812583
1,1-bis(octylamino)ethanol
CID 87347011
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964
N-[1-chloro-2-(chloromethyl)butan-2-yl]heptan-1-amine
CID 107867089
N'-docosylethane-1,2-diamine
CID 18783196

Frequently Asked Questions

What is the IUPAC name of 4-N-decyl-3,4-diethylhexane-3,4-diamine?
The IUPAC name of 4-N-decyl-3,4-diethylhexane-3,4-diamine (CID 150923336) is 4-N-decyl-3,4-diethylhexane-3,4-diamine.
What is the SMILES notation for 4-N-decyl-3,4-diethylhexane-3,4-diamine?
The canonical SMILES for 4-N-decyl-3,4-diethylhexane-3,4-diamine is CCCCCCCCCCNC(CC)(CC)C(N)(CC)CC.
What is the InChIKey of 4-N-decyl-3,4-diethylhexane-3,4-diamine?
The InChIKey is LEMNGEDNTJCJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2/c1-6-11-12-13-14-15-16-17-18-22-20(9-4,10-5)19(21,7-2)8-3/h22H,6-18,21H2,1-5H3.
What are the key properties of 4-N-decyl-3,4-diethylhexane-3,4-diamine?
4-N-decyl-3,4-diethylhexane-3,4-diamine has a molecular weight of 312.59 g/mol, XLogP of 5.79, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-decyl-3,4-diethylhexane-3,4-diamine is sourced from PubChem (CID 150923336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).