4,4,6,10-tetraaminodecan-5-one

C10H24N4O — CID 126506063

IUPAC4,4,6,10-tetraaminodecan-5-one
SMILESCCCC(N)(N)C(=O)C(N)CCCCN
InChIInChI=1S/C10H24N4O/c1-2-6-10(13,14)9(15)8(12)5-3-4-7-11/h8H,2-7,11-14H2,1H3
InChIKeyHQPNEYJFIJHVMI-UHFFFAOYSA-N
MW216.33 g/mol
LogP-0.57
Rot. Bonds8

About 4,4,6,10-tetraaminodecan-5-one

4,4,6,10-tetraaminodecan-5-one (PubChem CID 126506063) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 4,4,6,10-tetraaminodecan-5-one.

Molecular Properties

Compound Name4,4,6,10-tetraaminodecan-5-one
PubChem CID126506063
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name4,4,6,10-tetraaminodecan-5-one
SMILESCCCC(N)(N)C(=O)C(N)CCCCN
InChIInChI=1S/C10H24N4O/c1-2-6-10(13,14)9(15)8(12)5-3-4-7-11/h8H,2-7,11-14H2,1H3
InChIKeyHQPNEYJFIJHVMI-UHFFFAOYSA-N
XLogP-0.57
TPSA121.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5S)-5,9-diamino-3,3-dimethylnonan-4-one
CID 166782124
(4S)-2,4,8-triamino-2-ethyl-3-oxooctanoic acid
CID 139916200
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
4,8-diamino-2,2-dimethyl-1-sulfanyloctan-3-one
CID 139474804
ethyl (2S)-2,6-diaminohexanoate;hydrate;dihydrochloride
CID 176886199
(2R,4S)-2,4,8-triamino-2-(hydroxymethyl)-3-oxooctanoic acid
CID 141082630
2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide
CID 174452510
2-aminobutan-2-yl (2S)-2,6-diaminohexanoate
CID 139681735
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
(5S,9S)-1,5,9,13-tetraamino-7-[(Z)-17-aminoheptadec-8-enyl]-7-[(2S)-2,6-diaminohexanoyl]tridecane-6,8-dione
CID 175946141

Frequently Asked Questions

What is the IUPAC name of 4,4,6,10-tetraaminodecan-5-one?
The IUPAC name of 4,4,6,10-tetraaminodecan-5-one (CID 126506063) is 4,4,6,10-tetraaminodecan-5-one.
What is the SMILES notation for 4,4,6,10-tetraaminodecan-5-one?
The canonical SMILES for 4,4,6,10-tetraaminodecan-5-one is CCCC(N)(N)C(=O)C(N)CCCCN.
What is the InChIKey of 4,4,6,10-tetraaminodecan-5-one?
The InChIKey is HQPNEYJFIJHVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-2-6-10(13,14)9(15)8(12)5-3-4-7-11/h8H,2-7,11-14H2,1H3.
What are the key properties of 4,4,6,10-tetraaminodecan-5-one?
4,4,6,10-tetraaminodecan-5-one has a molecular weight of 216.33 g/mol, XLogP of -0.57, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,10-tetraaminodecan-5-one is sourced from PubChem (CID 126506063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).