2,4,4-trimethyl-5-propyldecan-2-amine

C16H35N — CID 154971015

IUPAC2,4,4-trimethyl-5-propyldecan-2-amine
SMILESCCCCCC(CCC)C(C)(C)CC(C)(C)N
InChIInChI=1S/C16H35N/c1-7-9-10-12-14(11-8-2)15(3,4)13-16(5,6)17/h14H,7-13,17H2,1-6H3
InChIKeyJQCSNURTDJUKQU-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.14
Rot. Bonds9

About 2,4,4-trimethyl-5-propyldecan-2-amine

2,4,4-trimethyl-5-propyldecan-2-amine (PubChem CID 154971015) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2,4,4-trimethyl-5-propyldecan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-5-propyldecan-2-amine
PubChem CID154971015
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2,4,4-trimethyl-5-propyldecan-2-amine
SMILESCCCCCC(CCC)C(C)(C)CC(C)(C)N
InChIInChI=1S/C16H35N/c1-7-9-10-12-14(11-8-2)15(3,4)13-16(5,6)17/h14H,7-13,17H2,1-6H3
InChIKeyJQCSNURTDJUKQU-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.14
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

3,3-dimethyl-4-propyloctane
CID 57491237
3-hexyl-2-methylundecan-2-amine
CID 89005835
11-(2-methylheptan-2-yl)docosane
CID 57252514
5-butyl-6-propylheptadecan-5-amine
CID 22597070
3-ethyl-2-methylnonan-2-amine
CID 175488413
8-heptyl-9-propylhexadecan-8-amine;hydroiodide
CID 173157540
4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572
6-tert-butylundecane
CID 90714582
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
9-tert-butylhenicosane
CID 150708915

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-5-propyldecan-2-amine?
The IUPAC name of 2,4,4-trimethyl-5-propyldecan-2-amine (CID 154971015) is 2,4,4-trimethyl-5-propyldecan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-5-propyldecan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-5-propyldecan-2-amine is CCCCCC(CCC)C(C)(C)CC(C)(C)N.
What is the InChIKey of 2,4,4-trimethyl-5-propyldecan-2-amine?
The InChIKey is JQCSNURTDJUKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-7-9-10-12-14(11-8-2)15(3,4)13-16(5,6)17/h14H,7-13,17H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-5-propyldecan-2-amine?
2,4,4-trimethyl-5-propyldecan-2-amine has a molecular weight of 241.46 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-5-propyldecan-2-amine is sourced from PubChem (CID 154971015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).