3-(2-aminoethyl)-3-methylpentane-1,5-diamine

C8H21N3 — CID 22619063

IUPAC3-(2-aminoethyl)-3-methylpentane-1,5-diamine
SMILESCC(CCN)(CCN)CCN
InChIInChI=1S/C8H21N3/c1-8(2-5-9,3-6-10)4-7-11/h2-7,9-11H2,1H3
InChIKeyOBRUMIVRXFAJOW-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.04
Rot. Bonds6

About 3-(2-aminoethyl)-3-methylpentane-1,5-diamine

3-(2-aminoethyl)-3-methylpentane-1,5-diamine (PubChem CID 22619063) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 3-(2-aminoethyl)-3-methylpentane-1,5-diamine.

Molecular Properties

Compound Name3-(2-aminoethyl)-3-methylpentane-1,5-diamine
PubChem CID22619063
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name3-(2-aminoethyl)-3-methylpentane-1,5-diamine
SMILESCC(CCN)(CCN)CCN
InChIInChI=1S/C8H21N3/c1-8(2-5-9,3-6-10)4-7-11/h2-7,9-11H2,1H3
InChIKeyOBRUMIVRXFAJOW-UHFFFAOYSA-N
XLogP0.04
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-3-methylpentane-1,5-diamine?
The IUPAC name of 3-(2-aminoethyl)-3-methylpentane-1,5-diamine (CID 22619063) is 3-(2-aminoethyl)-3-methylpentane-1,5-diamine.
What is the SMILES notation for 3-(2-aminoethyl)-3-methylpentane-1,5-diamine?
The canonical SMILES for 3-(2-aminoethyl)-3-methylpentane-1,5-diamine is CC(CCN)(CCN)CCN.
What is the InChIKey of 3-(2-aminoethyl)-3-methylpentane-1,5-diamine?
The InChIKey is OBRUMIVRXFAJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-8(2-5-9,3-6-10)4-7-11/h2-7,9-11H2,1H3.
What are the key properties of 3-(2-aminoethyl)-3-methylpentane-1,5-diamine?
3-(2-aminoethyl)-3-methylpentane-1,5-diamine has a molecular weight of 159.28 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-3-methylpentane-1,5-diamine is sourced from PubChem (CID 22619063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).