2,4,6-trimethylhept-3-ene-1,7-diamine

C10H22N2 — CID 57246024

IUPAC2,4,6-trimethylhept-3-ene-1,7-diamine
SMILESCC(=CC(C)CN)CC(C)CN
InChIInChI=1S/C10H22N2/c1-8(4-9(2)6-11)5-10(3)7-12/h4,9-10H,5-7,11-12H2,1-3H3
InChIKeyRLFSGPOZFGKKSH-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.51
Rot. Bonds5

About 2,4,6-trimethylhept-3-ene-1,7-diamine

2,4,6-trimethylhept-3-ene-1,7-diamine (PubChem CID 57246024) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,4,6-trimethylhept-3-ene-1,7-diamine.

Molecular Properties

Compound Name2,4,6-trimethylhept-3-ene-1,7-diamine
PubChem CID57246024
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2,4,6-trimethylhept-3-ene-1,7-diamine
SMILESCC(=CC(C)CN)CC(C)CN
InChIInChI=1S/C10H22N2/c1-8(4-9(2)6-11)5-10(3)7-12/h4,9-10H,5-7,11-12H2,1-3H3
InChIKeyRLFSGPOZFGKKSH-UHFFFAOYSA-N
XLogP1.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
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 2,4,6-trimethylhept-3-ene-1,7-diamine?
The IUPAC name of 2,4,6-trimethylhept-3-ene-1,7-diamine (CID 57246024) is 2,4,6-trimethylhept-3-ene-1,7-diamine.
What is the SMILES notation for 2,4,6-trimethylhept-3-ene-1,7-diamine?
The canonical SMILES for 2,4,6-trimethylhept-3-ene-1,7-diamine is CC(=CC(C)CN)CC(C)CN.
What is the InChIKey of 2,4,6-trimethylhept-3-ene-1,7-diamine?
The InChIKey is RLFSGPOZFGKKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(4-9(2)6-11)5-10(3)7-12/h4,9-10H,5-7,11-12H2,1-3H3.
What are the key properties of 2,4,6-trimethylhept-3-ene-1,7-diamine?
2,4,6-trimethylhept-3-ene-1,7-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylhept-3-ene-1,7-diamine is sourced from PubChem (CID 57246024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).