4,7,10-triamino-2-decylcyclodecane-1,3-dione

C20H39N3O2 — CID 56984977

IUPAC4,7,10-triamino-2-decylcyclodecane-1,3-dione
SMILESCCCCCCCCCCC1C(=O)C(N)CCC(N)CCC(N)C1=O
InChIInChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-16-19(24)17(22)13-11-15(21)12-14-18(23)20(16)25/h15-18H,2-14,21-23H2,1H3
InChIKeyLLBWXOKXOPMBST-UHFFFAOYSA-N
MW353.55 g/mol
LogP2.83
Rot. Bonds9

About 4,7,10-triamino-2-decylcyclodecane-1,3-dione

4,7,10-triamino-2-decylcyclodecane-1,3-dione (PubChem CID 56984977) has the molecular formula C20H39N3O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is 4,7,10-triamino-2-decylcyclodecane-1,3-dione.

Molecular Properties

Compound Name4,7,10-triamino-2-decylcyclodecane-1,3-dione
PubChem CID56984977
Molecular FormulaC20H39N3O2
Molecular Weight353.55 g/mol
Exact Mass353.30
IUPAC Name4,7,10-triamino-2-decylcyclodecane-1,3-dione
SMILESCCCCCCCCCCC1C(=O)C(N)CCC(N)CCC(N)C1=O
InChIInChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-16-19(24)17(22)13-11-15(21)12-14-18(23)20(16)25/h15-18H,2-14,21-23H2,1H3
InChIKeyLLBWXOKXOPMBST-UHFFFAOYSA-N
XLogP2.83
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-methylcyclohexan-1-amine;undecane
CID 175032759
3-nonyloxetane-2,4-dione
CID 87532887
4-(4-pentylcyclohexyl)cyclohexan-1-amine
CID 86168777
2-pentadecylcyclopropan-1-one
CID 70874004
4-decylcyclohexan-1-one
CID 13479948
2-octylcyclohexane-1,3-dione
CID 102322610
4-undecylcyclopentane-1,2-dione
CID 54303237
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
heptan-1-amine;4-methylcyclohexan-1-amine
CID 157323652

Frequently Asked Questions

What is the IUPAC name of 4,7,10-triamino-2-decylcyclodecane-1,3-dione?
The IUPAC name of 4,7,10-triamino-2-decylcyclodecane-1,3-dione (CID 56984977) is 4,7,10-triamino-2-decylcyclodecane-1,3-dione.
What is the SMILES notation for 4,7,10-triamino-2-decylcyclodecane-1,3-dione?
The canonical SMILES for 4,7,10-triamino-2-decylcyclodecane-1,3-dione is CCCCCCCCCCC1C(=O)C(N)CCC(N)CCC(N)C1=O.
What is the InChIKey of 4,7,10-triamino-2-decylcyclodecane-1,3-dione?
The InChIKey is LLBWXOKXOPMBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-16-19(24)17(22)13-11-15(21)12-14-18(23)20(16)25/h15-18H,2-14,21-23H2,1H3.
What are the key properties of 4,7,10-triamino-2-decylcyclodecane-1,3-dione?
4,7,10-triamino-2-decylcyclodecane-1,3-dione has a molecular weight of 353.55 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,10-triamino-2-decylcyclodecane-1,3-dione is sourced from PubChem (CID 56984977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).