2-ethyl-4-methylpentane-1,3-diamine

C8H20N2 — CID 116945412

IUPAC2-ethyl-4-methylpentane-1,3-diamine
SMILESCCC(CN)C(N)C(C)C
InChIInChI=1S/C8H20N2/c1-4-7(5-9)8(10)6(2)3/h6-8H,4-5,9-10H2,1-3H3
InChIKeyVFBMXJCWMDULFC-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.95
Rot. Bonds4

About 2-ethyl-4-methylpentane-1,3-diamine

2-ethyl-4-methylpentane-1,3-diamine (PubChem CID 116945412) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-ethyl-4-methylpentane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-4-methylpentane-1,3-diamine
PubChem CID116945412
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name2-ethyl-4-methylpentane-1,3-diamine
SMILESCCC(CN)C(N)C(C)C
InChIInChI=1S/C8H20N2/c1-4-7(5-9)8(10)6(2)3/h6-8H,4-5,9-10H2,1-3H3
InChIKeyVFBMXJCWMDULFC-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylpentane-1,3-diamine?
The IUPAC name of 2-ethyl-4-methylpentane-1,3-diamine (CID 116945412) is 2-ethyl-4-methylpentane-1,3-diamine.
What is the SMILES notation for 2-ethyl-4-methylpentane-1,3-diamine?
The canonical SMILES for 2-ethyl-4-methylpentane-1,3-diamine is CCC(CN)C(N)C(C)C.
What is the InChIKey of 2-ethyl-4-methylpentane-1,3-diamine?
The InChIKey is VFBMXJCWMDULFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-7(5-9)8(10)6(2)3/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of 2-ethyl-4-methylpentane-1,3-diamine?
2-ethyl-4-methylpentane-1,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylpentane-1,3-diamine is sourced from PubChem (CID 116945412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).