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

C14H30N2 — CID 79177982

IUPAC3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine
SMILESCCN(CC)C(C)(CC)C(C=C(C)C)NC
InChIInChI=1S/C14H30N2/c1-8-14(6,16(9-2)10-3)13(15-7)11-12(4)5/h11,13,15H,8-10H2,1-7H3
InChIKeyDEMCFCFPGCUFCJ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.05
Rot. Bonds7

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

3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine (PubChem CID 79177982) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine
PubChem CID79177982
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine
SMILESCCN(CC)C(C)(CC)C(C=C(C)C)NC
InChIInChI=1S/C14H30N2/c1-8-14(6,16(9-2)10-3)13(15-7)11-12(4)5/h11,13,15H,8-10H2,1-7H3
InChIKeyDEMCFCFPGCUFCJ-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 3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine (CID 79177982) is 3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine is CCN(CC)C(C)(CC)C(C=C(C)C)NC.
What is the InChIKey of 3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine?
The InChIKey is DEMCFCFPGCUFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-8-14(6,16(9-2)10-3)13(15-7)11-12(4)5/h11,13,15H,8-10H2,1-7H3.
What are the key properties of 3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine?
3-N,3-N-diethyl-4-N,3,6-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 3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine is sourced from PubChem (CID 79177982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).