3-N,4,6-trimethylundec-10-ene-3,8-diamine

C14H30N2 — CID 91059180

IUPAC3-N,4,6-trimethylundec-10-ene-3,8-diamine
SMILESC=CCC(N)CC(C)CC(C)C(CC)NC
InChIInChI=1S/C14H30N2/c1-6-8-13(15)10-11(3)9-12(4)14(7-2)16-5/h6,11-14,16H,1,7-10,15H2,2-5H3
InChIKeyYGZUCHBOMRJRII-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.94
Rot. Bonds9

About 3-N,4,6-trimethylundec-10-ene-3,8-diamine

3-N,4,6-trimethylundec-10-ene-3,8-diamine (PubChem CID 91059180) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-N,4,6-trimethylundec-10-ene-3,8-diamine.

Molecular Properties

Compound Name3-N,4,6-trimethylundec-10-ene-3,8-diamine
PubChem CID91059180
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-N,4,6-trimethylundec-10-ene-3,8-diamine
SMILESC=CCC(N)CC(C)CC(C)C(CC)NC
InChIInChI=1S/C14H30N2/c1-6-8-13(15)10-11(3)9-12(4)14(7-2)16-5/h6,11-14,16H,1,7-10,15H2,2-5H3
InChIKeyYGZUCHBOMRJRII-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.94
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 3-N,4,6-trimethylundec-10-ene-3,8-diamine?
The IUPAC name of 3-N,4,6-trimethylundec-10-ene-3,8-diamine (CID 91059180) is 3-N,4,6-trimethylundec-10-ene-3,8-diamine.
What is the SMILES notation for 3-N,4,6-trimethylundec-10-ene-3,8-diamine?
The canonical SMILES for 3-N,4,6-trimethylundec-10-ene-3,8-diamine is C=CCC(N)CC(C)CC(C)C(CC)NC.
What is the InChIKey of 3-N,4,6-trimethylundec-10-ene-3,8-diamine?
The InChIKey is YGZUCHBOMRJRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-8-13(15)10-11(3)9-12(4)14(7-2)16-5/h6,11-14,16H,1,7-10,15H2,2-5H3.
What are the key properties of 3-N,4,6-trimethylundec-10-ene-3,8-diamine?
3-N,4,6-trimethylundec-10-ene-3,8-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4,6-trimethylundec-10-ene-3,8-diamine is sourced from PubChem (CID 91059180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).