4-methylpentane-1,2-diamine

C6H16N2 — CID 3064226

IUPAC4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CN
InChIInChI=1S/C6H16N2/c1-5(2)3-6(8)4-7/h5-6H,3-4,7-8H2,1-2H3
InChIKeyLGNSOKKCXYBTOL-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.32
Rot. Bonds3

About 4-methylpentane-1,2-diamine

4-methylpentane-1,2-diamine (PubChem CID 3064226) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name4-methylpentane-1,2-diamine
PubChem CID3064226
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CN
InChIInChI=1S/C6H16N2/c1-5(2)3-6(8)4-7/h5-6H,3-4,7-8H2,1-2H3
InChIKeyLGNSOKKCXYBTOL-UHFFFAOYSA-N
XLogP0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentane-1,2-diamine?
The IUPAC name of 4-methylpentane-1,2-diamine (CID 3064226) is 4-methylpentane-1,2-diamine.
What is the SMILES notation for 4-methylpentane-1,2-diamine?
The canonical SMILES for 4-methylpentane-1,2-diamine is CC(C)CC(N)CN.
What is the InChIKey of 4-methylpentane-1,2-diamine?
The InChIKey is LGNSOKKCXYBTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-5(2)3-6(8)4-7/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methylpentane-1,2-diamine?
4-methylpentane-1,2-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentane-1,2-diamine is sourced from PubChem (CID 3064226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).