4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine

C14H30N2 — CID 79178207

IUPAC4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine
SMILESCCNC(C=C(C)C)C(CC)(CC)N(C)C
InChIInChI=1S/C14H30N2/c1-8-14(9-2,16(6)7)13(15-10-3)11-12(4)5/h11,13,15H,8-10H2,1-7H3
InChIKeyVDTKTERMTOEPEL-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.05
Rot. Bonds7

About 4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine

4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine (PubChem CID 79178207) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine.

Molecular Properties

Compound Name4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine
PubChem CID79178207
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine
SMILESCCNC(C=C(C)C)C(CC)(CC)N(C)C
InChIInChI=1S/C14H30N2/c1-8-14(9-2,16(6)7)13(15-10-3)11-12(4)5/h11,13,15H,8-10H2,1-7H3
InChIKeyVDTKTERMTOEPEL-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine?
The IUPAC name of 4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine (CID 79178207) is 4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine.
What is the SMILES notation for 4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine?
The canonical SMILES for 4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine is CCNC(C=C(C)C)C(CC)(CC)N(C)C.
What is the InChIKey of 4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine?
The InChIKey is VDTKTERMTOEPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-8-14(9-2,16(6)7)13(15-10-3)11-12(4)5/h11,13,15H,8-10H2,1-7H3.
What are the key properties of 4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine?
4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine is sourced from PubChem (CID 79178207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).