3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine

C15H34N2 — CID 65041404

IUPAC3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine
SMILESCCC(CCN)CCCNC(CC)(CC)CC
InChIInChI=1S/C15H34N2/c1-5-14(11-12-16)10-9-13-17-15(6-2,7-3)8-4/h14,17H,5-13,16H2,1-4H3
InChIKeyOMZXIKNSKHWIAS-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.70
Rot. Bonds11

About 3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine

3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine (PubChem CID 65041404) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine.

Molecular Properties

Compound Name3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine
PubChem CID65041404
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine
SMILESCCC(CCN)CCCNC(CC)(CC)CC
InChIInChI=1S/C15H34N2/c1-5-14(11-12-16)10-9-13-17-15(6-2,7-3)8-4/h14,17H,5-13,16H2,1-4H3
InChIKeyOMZXIKNSKHWIAS-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine?
The IUPAC name of 3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine (CID 65041404) is 3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine.
What is the SMILES notation for 3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine?
The canonical SMILES for 3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine is CCC(CCN)CCCNC(CC)(CC)CC.
What is the InChIKey of 3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine?
The InChIKey is OMZXIKNSKHWIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-5-14(11-12-16)10-9-13-17-15(6-2,7-3)8-4/h14,17H,5-13,16H2,1-4H3.
What are the key properties of 3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine?
3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine is sourced from PubChem (CID 65041404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).