N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine

C11H21N — CID 83160155

IUPACN-(2-cyclopropyl-2-methylbutyl)cyclopropanamine
SMILESCCC(C)(CNC1CC1)C1CC1
InChIInChI=1S/C11H21N/c1-3-11(2,9-4-5-9)8-12-10-6-7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyPQZAOSOCYAXASO-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.56
Rot. Bonds5

About N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine

N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine (PubChem CID 83160155) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-methylbutyl)cyclopropanamine
PubChem CID83160155
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(2-cyclopropyl-2-methylbutyl)cyclopropanamine
SMILESCCC(C)(CNC1CC1)C1CC1
InChIInChI=1S/C11H21N/c1-3-11(2,9-4-5-9)8-12-10-6-7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyPQZAOSOCYAXASO-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine?
The IUPAC name of N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine (CID 83160155) is N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine?
The canonical SMILES for N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine is CCC(C)(CNC1CC1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine?
The InChIKey is PQZAOSOCYAXASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-11(2,9-4-5-9)8-12-10-6-7-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine?
N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine has a molecular weight of 167.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine is sourced from PubChem (CID 83160155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).