N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine

C13H27N — CID 123713297

IUPACN-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine
SMILESCCCC(C)C1(C)C(C)C1(C)CNC
InChIInChI=1S/C13H27N/c1-7-8-10(2)13(5)11(3)12(13,4)9-14-6/h10-11,14H,7-9H2,1-6H3
InChIKeyROXWUCXHZNKOAC-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.30
Rot. Bonds5

About N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine

N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine (PubChem CID 123713297) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine
PubChem CID123713297
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine
SMILESCCCC(C)C1(C)C(C)C1(C)CNC
InChIInChI=1S/C13H27N/c1-7-8-10(2)13(5)11(3)12(13,4)9-14-6/h10-11,14H,7-9H2,1-6H3
InChIKeyROXWUCXHZNKOAC-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine?
The IUPAC name of N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine (CID 123713297) is N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine.
What is the SMILES notation for N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine?
The canonical SMILES for N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine is CCCC(C)C1(C)C(C)C1(C)CNC.
What is the InChIKey of N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine?
The InChIKey is ROXWUCXHZNKOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-8-10(2)13(5)11(3)12(13,4)9-14-6/h10-11,14H,7-9H2,1-6H3.
What are the key properties of N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine?
N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine has a molecular weight of 197.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine is sourced from PubChem (CID 123713297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).