12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine

C20H44N2 — CID 15610189

IUPAC12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine
SMILESCCCC(C)(CN)CCCCCCCCC(N)C(CC)CC
InChIInChI=1S/C20H44N2/c1-5-15-20(4,17-21)16-13-11-9-8-10-12-14-19(22)18(6-2)7-3/h18-19H,5-17,21-22H2,1-4H3
InChIKeyIKZVGAQZXIUIFL-UHFFFAOYSA-N
MW312.59 g/mol
LogP5.64
Rot. Bonds15

About 12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine

12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine (PubChem CID 15610189) has the molecular formula C20H44N2 and a molecular weight of 312.59 g/mol. Its IUPAC name is 12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine.

Molecular Properties

Compound Name12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine
PubChem CID15610189
Molecular FormulaC20H44N2
Molecular Weight312.59 g/mol
Exact Mass312.35
IUPAC Name12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine
SMILESCCCC(C)(CN)CCCCCCCCC(N)C(CC)CC
InChIInChI=1S/C20H44N2/c1-5-15-20(4,17-21)16-13-11-9-8-10-12-14-19(22)18(6-2)7-3/h18-19H,5-17,21-22H2,1-4H3
InChIKeyIKZVGAQZXIUIFL-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 12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine?
The IUPAC name of 12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine (CID 15610189) is 12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine.
What is the SMILES notation for 12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine?
The canonical SMILES for 12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine is CCCC(C)(CN)CCCCCCCCC(N)C(CC)CC.
What is the InChIKey of 12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine?
The InChIKey is IKZVGAQZXIUIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2/c1-5-15-20(4,17-21)16-13-11-9-8-10-12-14-19(22)18(6-2)7-3/h18-19H,5-17,21-22H2,1-4H3.
What are the key properties of 12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine?
12-ethyl-2-methyl-2-propyltetradecane-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 12-ethyl-2-methyl-2-propyltetradecane-1,11-diamine is sourced from PubChem (CID 15610189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).