4-hexyl-2,2-dimethyldecan-3-amine

C18H39N — CID 146243827

IUPAC4-hexyl-2,2-dimethyldecan-3-amine
SMILESCCCCCCC(CCCCCC)C(N)C(C)(C)C
InChIInChI=1S/C18H39N/c1-6-8-10-12-14-16(15-13-11-9-7-2)17(19)18(3,4)5/h16-17H,6-15,19H2,1-5H3
InChIKeyZLLYRMVJIFSTOR-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.92
Rot. Bonds11

About 4-hexyl-2,2-dimethyldecan-3-amine

4-hexyl-2,2-dimethyldecan-3-amine (PubChem CID 146243827) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 4-hexyl-2,2-dimethyldecan-3-amine.

Molecular Properties

Compound Name4-hexyl-2,2-dimethyldecan-3-amine
PubChem CID146243827
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name4-hexyl-2,2-dimethyldecan-3-amine
SMILESCCCCCCC(CCCCCC)C(N)C(C)(C)C
InChIInChI=1S/C18H39N/c1-6-8-10-12-14-16(15-13-11-9-7-2)17(19)18(3,4)5/h16-17H,6-15,19H2,1-5H3
InChIKeyZLLYRMVJIFSTOR-UHFFFAOYSA-N
XLogP5.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.92
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

(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2,2-dimethyldodecan-3-amine
CID 43370499
9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
3-[amino(dimethyl)silyl]-2,2-dimethyltetradecane
CID 57359839
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
nonapentacontan-30-amine
CID 118952570
pentacosan-7-amine
CID 88938409
8,9-dibutylhexadecane
CID 530025
3-decyltridecan-2-amine;hydrochloride
CID 173130271

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2,2-dimethyldecan-3-amine?
The IUPAC name of 4-hexyl-2,2-dimethyldecan-3-amine (CID 146243827) is 4-hexyl-2,2-dimethyldecan-3-amine.
What is the SMILES notation for 4-hexyl-2,2-dimethyldecan-3-amine?
The canonical SMILES for 4-hexyl-2,2-dimethyldecan-3-amine is CCCCCCC(CCCCCC)C(N)C(C)(C)C.
What is the InChIKey of 4-hexyl-2,2-dimethyldecan-3-amine?
The InChIKey is ZLLYRMVJIFSTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-6-8-10-12-14-16(15-13-11-9-7-2)17(19)18(3,4)5/h16-17H,6-15,19H2,1-5H3.
What are the key properties of 4-hexyl-2,2-dimethyldecan-3-amine?
4-hexyl-2,2-dimethyldecan-3-amine has a molecular weight of 269.52 g/mol, XLogP of 5.92, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2,2-dimethyldecan-3-amine is sourced from PubChem (CID 146243827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).