3-ethyl-3-methylpentane-1,1-diamine

C8H20N2 — CID 172552904

IUPAC3-ethyl-3-methylpentane-1,1-diamine
SMILESCCC(C)(CC)CC(N)N
InChIInChI=1S/C8H20N2/c1-4-8(3,5-2)6-7(9)10/h7H,4-6,9-10H2,1-3H3
InChIKeyZEJBZISYNRARJM-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.45
Rot. Bonds4

About 3-ethyl-3-methylpentane-1,1-diamine

3-ethyl-3-methylpentane-1,1-diamine (PubChem CID 172552904) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-ethyl-3-methylpentane-1,1-diamine.

Molecular Properties

Compound Name3-ethyl-3-methylpentane-1,1-diamine
PubChem CID172552904
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3-ethyl-3-methylpentane-1,1-diamine
SMILESCCC(C)(CC)CC(N)N
InChIInChI=1S/C8H20N2/c1-4-8(3,5-2)6-7(9)10/h7H,4-6,9-10H2,1-3H3
InChIKeyZEJBZISYNRARJM-UHFFFAOYSA-N
XLogP1.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylpentane-1,1-diamine?
The IUPAC name of 3-ethyl-3-methylpentane-1,1-diamine (CID 172552904) is 3-ethyl-3-methylpentane-1,1-diamine.
What is the SMILES notation for 3-ethyl-3-methylpentane-1,1-diamine?
The canonical SMILES for 3-ethyl-3-methylpentane-1,1-diamine is CCC(C)(CC)CC(N)N.
What is the InChIKey of 3-ethyl-3-methylpentane-1,1-diamine?
The InChIKey is ZEJBZISYNRARJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-8(3,5-2)6-7(9)10/h7H,4-6,9-10H2,1-3H3.
What are the key properties of 3-ethyl-3-methylpentane-1,1-diamine?
3-ethyl-3-methylpentane-1,1-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylpentane-1,1-diamine is sourced from PubChem (CID 172552904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).