ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen

C24H55NO — CID 169159535

IUPACethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen
SMILESCC.CC.CC(=O)CCCCCCCCNCCCCCCCC(C)C.[H][H]
InChIInChI=1S/C20H41NO.2C2H6.H2/c1-19(2)15-11-7-6-10-14-18-21-17-13-9-5-4-8-12-16-20(3)22;2*1-2;/h19,21H,4-18H2,1-3H3;2*1-2H3;1H
InChIKeyWZAUYHSIZDFURF-UHFFFAOYSA-N
MW373.71 g/mol
LogP8.19
Rot. Bonds17

About ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen

ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen (PubChem CID 169159535) has the molecular formula C24H55NO and a molecular weight of 373.71 g/mol. Its IUPAC name is ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen
PubChem CID169159535
Molecular FormulaC24H55NO
Molecular Weight373.71 g/mol
Exact Mass373.43
IUPAC Nameethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen
SMILESCC.CC.CC(=O)CCCCCCCCNCCCCCCCC(C)C.[H][H]
InChIInChI=1S/C20H41NO.2C2H6.H2/c1-19(2)15-11-7-6-10-14-18-21-17-13-9-5-4-8-12-16-20(3)22;2*1-2;/h19,21H,4-18H2,1-3H3;2*1-2H3;1H
InChIKeyWZAUYHSIZDFURF-UHFFFAOYSA-N
XLogP8.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.71
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methyl-N-(7-methyloctyl)octan-1-amine;7-methyloctanoic acid
CID 172838661
18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
3-(12-methyltridecylamino)propanoic acid
CID 168911693
14-methylpentadecane-2,8-dione
CID 159096890
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
ethane;molecular hydrogen;7-(propan-2-ylamino)heptan-2-one
CID 155740570
2-[3-methylbutyl-[2-(6-oxoheptylamino)ethyl]amino]ethanesulfonic acid
CID 158718439
3-(5-oxohexylamino)propanoic acid
CID 87146551

Frequently Asked Questions

What is the IUPAC name of ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen?
The IUPAC name of ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen (CID 169159535) is ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen.
What is the SMILES notation for ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen?
The canonical SMILES for ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen is CC.CC.CC(=O)CCCCCCCCNCCCCCCCC(C)C.[H][H].
What is the InChIKey of ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen?
The InChIKey is WZAUYHSIZDFURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO.2C2H6.H2/c1-19(2)15-11-7-6-10-14-18-21-17-13-9-5-4-8-12-16-20(3)22;2*1-2;/h19,21H,4-18H2,1-3H3;2*1-2H3;1H.
What are the key properties of ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen?
ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen has a molecular weight of 373.71 g/mol, XLogP of 8.19, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen is sourced from PubChem (CID 169159535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).