6-amino-3-(2-aminoethyl)hexan-2-one

C8H18N2O — CID 22709233

IUPAC6-amino-3-(2-aminoethyl)hexan-2-one
SMILESCC(=O)C(CCN)CCCN
InChIInChI=1S/C8H18N2O/c1-7(11)8(4-6-10)3-2-5-9/h8H,2-6,9-10H2,1H3
InChIKeyRROMGUPPRPHEPA-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.28
Rot. Bonds6

About 6-amino-3-(2-aminoethyl)hexan-2-one

6-amino-3-(2-aminoethyl)hexan-2-one (PubChem CID 22709233) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 6-amino-3-(2-aminoethyl)hexan-2-one.

Molecular Properties

Compound Name6-amino-3-(2-aminoethyl)hexan-2-one
PubChem CID22709233
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name6-amino-3-(2-aminoethyl)hexan-2-one
SMILESCC(=O)C(CCN)CCCN
InChIInChI=1S/C8H18N2O/c1-7(11)8(4-6-10)3-2-5-9/h8H,2-6,9-10H2,1H3
InChIKeyRROMGUPPRPHEPA-UHFFFAOYSA-N
XLogP0.28
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-pentylnonan-2-one
CID 21290467
6-fluoro-3-(2-hydroxyethyl)hexan-2-one
CID 103343847
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
3-butylundecan-2-one
CID 10922232
3-(10-aminodecyl)pentane-2,4-dione
CID 71337648
2-(2-aminoethyl)nonanoic acid
CID 104680899
2-(2-aminoethyl)octadecanoic acid
CID 54025424
2-(3-aminopropyl)hexanediamide
CID 174684338
(3S)-7-amino-3-methylheptan-2-one;ethane
CID 145493099
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
5-amino-2-(fluoromethyl)pentanoate
CID 145260121

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-aminoethyl)hexan-2-one?
The IUPAC name of 6-amino-3-(2-aminoethyl)hexan-2-one (CID 22709233) is 6-amino-3-(2-aminoethyl)hexan-2-one.
What is the SMILES notation for 6-amino-3-(2-aminoethyl)hexan-2-one?
The canonical SMILES for 6-amino-3-(2-aminoethyl)hexan-2-one is CC(=O)C(CCN)CCCN.
What is the InChIKey of 6-amino-3-(2-aminoethyl)hexan-2-one?
The InChIKey is RROMGUPPRPHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(11)8(4-6-10)3-2-5-9/h8H,2-6,9-10H2,1H3.
What are the key properties of 6-amino-3-(2-aminoethyl)hexan-2-one?
6-amino-3-(2-aminoethyl)hexan-2-one has a molecular weight of 158.24 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-aminoethyl)hexan-2-one is sourced from PubChem (CID 22709233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).