3,6-diaminohexan-2-one;ethane

C8H20N2O — CID 142274361

IUPAC3,6-diaminohexan-2-one;ethane
SMILESCC.CC(=O)C(N)CCCN
InChIInChI=1S/C6H14N2O.C2H6/c1-5(9)6(8)3-2-4-7;1-2/h6H,2-4,7-8H2,1H3;1-2H3
InChIKeyNMHWVOJTLDGXQB-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.67
Rot. Bonds4

About 3,6-diaminohexan-2-one;ethane

3,6-diaminohexan-2-one;ethane (PubChem CID 142274361) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 3,6-diaminohexan-2-one;ethane.

Molecular Properties

Compound Name3,6-diaminohexan-2-one;ethane
PubChem CID142274361
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name3,6-diaminohexan-2-one;ethane
SMILESCC.CC(=O)C(N)CCCN
InChIInChI=1S/C6H14N2O.C2H6/c1-5(9)6(8)3-2-4-7;1-2/h6H,2-4,7-8H2,1H3;1-2H3
InChIKeyNMHWVOJTLDGXQB-UHFFFAOYSA-N
XLogP0.67
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-Aminooctan-4-one
CID 25202393
(3S)-3,7-diaminoheptan-2-one
CID 5288718
5-Ketooctylamine
CID 25202394
3-Aminotridecan-4-one
CID 44216782
(S)-3-aminotridecan-4-one
CID 44216794
3-Aminoheptan-2-one
CID 409945
2-Octanone, 3-amino-
CID 437032
1-Acetylcadaverine
CID 4477684
1-Acetyl-1,6-diaminohexane
CID 19831633
1-Acetyl-1,8-diaminooctane
CID 20254292
1-Acetylputrescine
CID 20254301
3-Aminohexan-2-one
CID 20613280

Frequently Asked Questions

What is the IUPAC name of 3,6-diaminohexan-2-one;ethane?
The IUPAC name of 3,6-diaminohexan-2-one;ethane (CID 142274361) is 3,6-diaminohexan-2-one;ethane.
What is the SMILES notation for 3,6-diaminohexan-2-one;ethane?
The canonical SMILES for 3,6-diaminohexan-2-one;ethane is CC.CC(=O)C(N)CCCN.
What is the InChIKey of 3,6-diaminohexan-2-one;ethane?
The InChIKey is NMHWVOJTLDGXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6/c1-5(9)6(8)3-2-4-7;1-2/h6H,2-4,7-8H2,1H3;1-2H3.
What are the key properties of 3,6-diaminohexan-2-one;ethane?
3,6-diaminohexan-2-one;ethane has a molecular weight of 160.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diaminohexan-2-one;ethane is sourced from PubChem (CID 142274361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).