N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine

C22H47N — CID 154328123

IUPACN-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine
SMILESCCCCCCNCCCCCC(CCC(C)C)CCC(C)C
InChIInChI=1S/C22H47N/c1-6-7-8-11-18-23-19-12-9-10-13-22(16-14-20(2)3)17-15-21(4)5/h20-23H,6-19H2,1-5H3
InChIKeyYKOJEQPTJFPZOE-UHFFFAOYSA-N
MW325.63 g/mol
LogP7.21
Rot. Bonds17

About N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine

N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine (PubChem CID 154328123) has the molecular formula C22H47N and a molecular weight of 325.63 g/mol. Its IUPAC name is N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine.

Molecular Properties

Compound NameN-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine
PubChem CID154328123
Molecular FormulaC22H47N
Molecular Weight325.63 g/mol
Exact Mass325.37
IUPAC NameN-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine
SMILESCCCCCCNCCCCCC(CCC(C)C)CCC(C)C
InChIInChI=1S/C22H47N/c1-6-7-8-11-18-23-19-12-9-10-13-22(16-14-20(2)3)17-15-21(4)5/h20-23H,6-19H2,1-5H3
InChIKeyYKOJEQPTJFPZOE-UHFFFAOYSA-N
XLogP7.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 57.21
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

N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
2-methyl-5-propyltridecane
CID 123255718
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-butyl-4-hexyldocosan-1-amine
CID 172700029
5-[4-(tridecylamino)butyl]undecane-1,11-diamine
CID 139942223
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
9-hexyl-12-octyldocosane
CID 154203078
N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine
CID 174256295
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957

Frequently Asked Questions

What is the IUPAC name of N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine?
The IUPAC name of N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine (CID 154328123) is N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine.
What is the SMILES notation for N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine?
The canonical SMILES for N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine is CCCCCCNCCCCCC(CCC(C)C)CCC(C)C.
What is the InChIKey of N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine?
The InChIKey is YKOJEQPTJFPZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N/c1-6-7-8-11-18-23-19-12-9-10-13-22(16-14-20(2)3)17-15-21(4)5/h20-23H,6-19H2,1-5H3.
What are the key properties of N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine?
N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine has a molecular weight of 325.63 g/mol, XLogP of 7.21, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine is sourced from PubChem (CID 154328123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).