1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine

C11H21NO — CID 126991122

IUPAC1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine
SMILESCC1CC(CNC2(C)CC2)CCO1
InChIInChI=1S/C11H21NO/c1-9-7-10(3-6-13-9)8-12-11(2)4-5-11/h9-10,12H,3-8H2,1-2H3
InChIKeyXCLNHUYBSKPRCU-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds3

About 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine

1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine (PubChem CID 126991122) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine
PubChem CID126991122
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine
SMILESCC1CC(CNC2(C)CC2)CCO1
InChIInChI=1S/C11H21NO/c1-9-7-10(3-6-13-9)8-12-11(2)4-5-11/h9-10,12H,3-8H2,1-2H3
InChIKeyXCLNHUYBSKPRCU-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine (CID 126991122) is 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine is CC1CC(CNC2(C)CC2)CCO1.
What is the InChIKey of 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is XCLNHUYBSKPRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-7-10(3-6-13-9)8-12-11(2)4-5-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine?
1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 126991122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).