N-(2-tert-butyl-3-methylpentyl)cyclopropanamine

C13H27N — CID 83138542

IUPACN-(2-tert-butyl-3-methylpentyl)cyclopropanamine
SMILESCCC(C)C(CNC1CC1)C(C)(C)C
InChIInChI=1S/C13H27N/c1-6-10(2)12(13(3,4)5)9-14-11-7-8-11/h10-12,14H,6-9H2,1-5H3
InChIKeyICSOJKZWYBQCGR-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds5

About N-(2-tert-butyl-3-methylpentyl)cyclopropanamine

N-(2-tert-butyl-3-methylpentyl)cyclopropanamine (PubChem CID 83138542) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(2-tert-butyl-3-methylpentyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-tert-butyl-3-methylpentyl)cyclopropanamine
PubChem CID83138542
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(2-tert-butyl-3-methylpentyl)cyclopropanamine
SMILESCCC(C)C(CNC1CC1)C(C)(C)C
InChIInChI=1S/C13H27N/c1-6-10(2)12(13(3,4)5)9-14-11-7-8-11/h10-12,14H,6-9H2,1-5H3
InChIKeyICSOJKZWYBQCGR-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3-methylpentyl)cyclopropanamine?
The IUPAC name of N-(2-tert-butyl-3-methylpentyl)cyclopropanamine (CID 83138542) is N-(2-tert-butyl-3-methylpentyl)cyclopropanamine.
What is the SMILES notation for N-(2-tert-butyl-3-methylpentyl)cyclopropanamine?
The canonical SMILES for N-(2-tert-butyl-3-methylpentyl)cyclopropanamine is CCC(C)C(CNC1CC1)C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-3-methylpentyl)cyclopropanamine?
The InChIKey is ICSOJKZWYBQCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-10(2)12(13(3,4)5)9-14-11-7-8-11/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(2-tert-butyl-3-methylpentyl)cyclopropanamine?
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3-methylpentyl)cyclopropanamine is sourced from PubChem (CID 83138542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).