N-(2-tert-butyloctyl)cyclopropanamine

C15H31N — CID 83138646

IUPACN-(2-tert-butyloctyl)cyclopropanamine
SMILESCCCCCCC(CNC1CC1)C(C)(C)C
InChIInChI=1S/C15H31N/c1-5-6-7-8-9-13(15(2,3)4)12-16-14-10-11-14/h13-14,16H,5-12H2,1-4H3
InChIKeyHUDOPXAEIUXWPA-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds8

About N-(2-tert-butyloctyl)cyclopropanamine

N-(2-tert-butyloctyl)cyclopropanamine (PubChem CID 83138646) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(2-tert-butyloctyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-tert-butyloctyl)cyclopropanamine
PubChem CID83138646
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(2-tert-butyloctyl)cyclopropanamine
SMILESCCCCCCC(CNC1CC1)C(C)(C)C
InChIInChI=1S/C15H31N/c1-5-6-7-8-9-13(15(2,3)4)12-16-14-10-11-14/h13-14,16H,5-12H2,1-4H3
InChIKeyHUDOPXAEIUXWPA-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
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-tert-butylnonyl)cyclopropanamine
CID 83139036
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
9-tert-butylhenicosane
CID 150708915
N,2-ditert-butylundecan-1-amine
CID 83138846
N,2-ditert-butyldodecan-1-amine
CID 83141382
N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine
CID 83139717
6-tert-butylundecane
CID 90714582
N-[2-(2-methylpropyl)undecyl]cyclopropanamine
CID 63497802
N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 103984909
1-(cyclopentylamino)nonan-2-ol
CID 115002403
9-tert-butyl-14-octyldocosane
CID 166495626

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyloctyl)cyclopropanamine?
The IUPAC name of N-(2-tert-butyloctyl)cyclopropanamine (CID 83138646) is N-(2-tert-butyloctyl)cyclopropanamine.
What is the SMILES notation for N-(2-tert-butyloctyl)cyclopropanamine?
The canonical SMILES for N-(2-tert-butyloctyl)cyclopropanamine is CCCCCCC(CNC1CC1)C(C)(C)C.
What is the InChIKey of N-(2-tert-butyloctyl)cyclopropanamine?
The InChIKey is HUDOPXAEIUXWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-6-7-8-9-13(15(2,3)4)12-16-14-10-11-14/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-(2-tert-butyloctyl)cyclopropanamine?
N-(2-tert-butyloctyl)cyclopropanamine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyloctyl)cyclopropanamine is sourced from PubChem (CID 83138646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).