4-hept-6-enyltetradecane-1,3-diamine

C21H44N2 — CID 21411817

IUPAC4-hept-6-enyltetradecane-1,3-diamine
SMILESC=CCCCCCC(CCCCCCCCCC)C(N)CCN
InChIInChI=1S/C21H44N2/c1-3-5-7-9-10-11-13-15-17-20(21(23)18-19-22)16-14-12-8-6-4-2/h4,20-21H,2-3,5-19,22-23H2,1H3
InChIKeyTZJVVEYIIKULKX-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.95
Rot. Bonds18

About 4-hept-6-enyltetradecane-1,3-diamine

4-hept-6-enyltetradecane-1,3-diamine (PubChem CID 21411817) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is 4-hept-6-enyltetradecane-1,3-diamine.

Molecular Properties

Compound Name4-hept-6-enyltetradecane-1,3-diamine
PubChem CID21411817
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Name4-hept-6-enyltetradecane-1,3-diamine
SMILESC=CCCCCCC(CCCCCCCCCC)C(N)CCN
InChIInChI=1S/C21H44N2/c1-3-5-7-9-10-11-13-15-17-20(21(23)18-19-22)16-14-12-8-6-4-2/h4,20-21H,2-3,5-19,22-23H2,1H3
InChIKeyTZJVVEYIIKULKX-UHFFFAOYSA-N
XLogP5.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hept-6-enyltetradecane-1,3-diamine?
The IUPAC name of 4-hept-6-enyltetradecane-1,3-diamine (CID 21411817) is 4-hept-6-enyltetradecane-1,3-diamine.
What is the SMILES notation for 4-hept-6-enyltetradecane-1,3-diamine?
The canonical SMILES for 4-hept-6-enyltetradecane-1,3-diamine is C=CCCCCCC(CCCCCCCCCC)C(N)CCN.
What is the InChIKey of 4-hept-6-enyltetradecane-1,3-diamine?
The InChIKey is TZJVVEYIIKULKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c1-3-5-7-9-10-11-13-15-17-20(21(23)18-19-22)16-14-12-8-6-4-2/h4,20-21H,2-3,5-19,22-23H2,1H3.
What are the key properties of 4-hept-6-enyltetradecane-1,3-diamine?
4-hept-6-enyltetradecane-1,3-diamine has a molecular weight of 324.60 g/mol, XLogP of 5.95, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-6-enyltetradecane-1,3-diamine is sourced from PubChem (CID 21411817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).