N-(2,2-dimethylpropyl)-9-methyldecan-1-amine

C16H35N — CID 146339864

IUPACN-(2,2-dimethylpropyl)-9-methyldecan-1-amine
SMILESCC(C)CCCCCCCCNCC(C)(C)C
InChIInChI=1S/C16H35N/c1-15(2)12-10-8-6-7-9-11-13-17-14-16(3,4)5/h15,17H,6-14H2,1-5H3
InChIKeyUNOYUUAEJHVXPS-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.01
Rot. Bonds10

About N-(2,2-dimethylpropyl)-9-methyldecan-1-amine

N-(2,2-dimethylpropyl)-9-methyldecan-1-amine (PubChem CID 146339864) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-9-methyldecan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-9-methyldecan-1-amine
PubChem CID146339864
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-(2,2-dimethylpropyl)-9-methyldecan-1-amine
SMILESCC(C)CCCCCCCCNCC(C)(C)C
InChIInChI=1S/C16H35N/c1-15(2)12-10-8-6-7-9-11-13-17-14-16(3,4)5/h15,17H,6-14H2,1-5H3
InChIKeyUNOYUUAEJHVXPS-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-(2,2-dimethylpropyl)-6-methylnonan-1-amine
CID 166678399
2-methyl-1-(7-methyloctylamino)butan-2-ol
CID 104985805
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
2-methyl-2-[(5-methylhexylamino)methyl]propane-1,3-diol
CID 115325569
3-[(7-methyloctylamino)methyl]pentan-3-ol
CID 107814894
2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
CID 115326129
17-methyl-N-prop-2-enyloctadecan-1-amine
CID 153323392
3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine
CID 107815634
2-methyl-2-[(5-methylhexylamino)methyl]butan-1-ol
CID 115324505
1-(2,2-dimethylpropyl)-3-(6-methylheptyl)urea
CID 156566869

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-9-methyldecan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-9-methyldecan-1-amine (CID 146339864) is N-(2,2-dimethylpropyl)-9-methyldecan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-9-methyldecan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-9-methyldecan-1-amine is CC(C)CCCCCCCCNCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-9-methyldecan-1-amine?
The InChIKey is UNOYUUAEJHVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-15(2)12-10-8-6-7-9-11-13-17-14-16(3,4)5/h15,17H,6-14H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-9-methyldecan-1-amine?
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-9-methyldecan-1-amine is sourced from PubChem (CID 146339864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).