N-(2,2-dimethyloctyl)cyclopropanamine

C13H27N — CID 62724340

IUPACN-(2,2-dimethyloctyl)cyclopropanamine
SMILESCCCCCCC(C)(C)CNC1CC1
InChIInChI=1S/C13H27N/c1-4-5-6-7-10-13(2,3)11-14-12-8-9-12/h12,14H,4-11H2,1-3H3
InChIKeyZHXQIHCXXJRRAT-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.73
Rot. Bonds8

About N-(2,2-dimethyloctyl)cyclopropanamine

N-(2,2-dimethyloctyl)cyclopropanamine (PubChem CID 62724340) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(2,2-dimethyloctyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-dimethyloctyl)cyclopropanamine
PubChem CID62724340
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(2,2-dimethyloctyl)cyclopropanamine
SMILESCCCCCCC(C)(C)CNC1CC1
InChIInChI=1S/C13H27N/c1-4-5-6-7-10-13(2,3)11-14-12-8-9-12/h12,14H,4-11H2,1-3H3
InChIKeyZHXQIHCXXJRRAT-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.73
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-(2,2-dimethylnonyl)cyclopropanamine
CID 63523416
1-(cyclopropylamino)-2-methyloctan-2-ol
CID 62774325
N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine
CID 173351165
N-(2,2,5,5-tetramethylhexyl)cyclopropanamine
CID 62725148
N,2,2-trimethyloctan-1-amine
CID 62723717
tert-butyl 3-(2,2-dimethylheptylamino)pyrrolidine-1-carboxylate
CID 103820994
N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
CID 106141048
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N-(2,2,5-trimethylhexyl)cyclopropanamine
CID 62724341
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloctyl)cyclopropanamine?
The IUPAC name of N-(2,2-dimethyloctyl)cyclopropanamine (CID 62724340) is N-(2,2-dimethyloctyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-dimethyloctyl)cyclopropanamine?
The canonical SMILES for N-(2,2-dimethyloctyl)cyclopropanamine is CCCCCCC(C)(C)CNC1CC1.
What is the InChIKey of N-(2,2-dimethyloctyl)cyclopropanamine?
The InChIKey is ZHXQIHCXXJRRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-7-10-13(2,3)11-14-12-8-9-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N-(2,2-dimethyloctyl)cyclopropanamine?
N-(2,2-dimethyloctyl)cyclopropanamine has a molecular weight of 197.37 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloctyl)cyclopropanamine is sourced from PubChem (CID 62724340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).