2,2,12-triethyltetradecane-1,11-diamine

C20H44N2 — CID 54165968

IUPAC2,2,12-triethyltetradecane-1,11-diamine
SMILESCCC(CC)C(N)CCCCCCCCC(CC)(CC)CN
InChIInChI=1S/C20H44N2/c1-5-18(6-2)19(22)15-13-11-9-10-12-14-16-20(7-3,8-4)17-21/h18-19H,5-17,21-22H2,1-4H3
InChIKeyORQORZZIDRCLDN-UHFFFAOYSA-N
MW312.59 g/mol
LogP5.64
Rot. Bonds15

About 2,2,12-triethyltetradecane-1,11-diamine

2,2,12-triethyltetradecane-1,11-diamine (PubChem CID 54165968) has the molecular formula C20H44N2 and a molecular weight of 312.59 g/mol. Its IUPAC name is 2,2,12-triethyltetradecane-1,11-diamine.

Molecular Properties

Compound Name2,2,12-triethyltetradecane-1,11-diamine
PubChem CID54165968
Molecular FormulaC20H44N2
Molecular Weight312.59 g/mol
Exact Mass312.35
IUPAC Name2,2,12-triethyltetradecane-1,11-diamine
SMILESCCC(CC)C(N)CCCCCCCCC(CC)(CC)CN
InChIInChI=1S/C20H44N2/c1-5-18(6-2)19(22)15-13-11-9-10-12-14-16-20(7-3,8-4)17-21/h18-19H,5-17,21-22H2,1-4H3
InChIKeyORQORZZIDRCLDN-UHFFFAOYSA-N
XLogP5.64
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.59
LogP ≤ 55.64
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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Frequently Asked Questions

What is the IUPAC name of 2,2,12-triethyltetradecane-1,11-diamine?
The IUPAC name of 2,2,12-triethyltetradecane-1,11-diamine (CID 54165968) is 2,2,12-triethyltetradecane-1,11-diamine.
What is the SMILES notation for 2,2,12-triethyltetradecane-1,11-diamine?
The canonical SMILES for 2,2,12-triethyltetradecane-1,11-diamine is CCC(CC)C(N)CCCCCCCCC(CC)(CC)CN.
What is the InChIKey of 2,2,12-triethyltetradecane-1,11-diamine?
The InChIKey is ORQORZZIDRCLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2/c1-5-18(6-2)19(22)15-13-11-9-10-12-14-16-20(7-3,8-4)17-21/h18-19H,5-17,21-22H2,1-4H3.
What are the key properties of 2,2,12-triethyltetradecane-1,11-diamine?
2,2,12-triethyltetradecane-1,11-diamine has a molecular weight of 312.59 g/mol, XLogP of 5.64, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,12-triethyltetradecane-1,11-diamine is sourced from PubChem (CID 54165968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).