[6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine

C11H21NO — CID 126983740

IUPAC[6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine
SMILESCC1(CC2CC2)CCCC(CN)O1
InChIInChI=1S/C11H21NO/c1-11(7-9-4-5-9)6-2-3-10(8-12)13-11/h9-10H,2-8,12H2,1H3
InChIKeyHIJJVMHLGQAIJX-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.07
Rot. Bonds3

About [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine

[6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine (PubChem CID 126983740) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine.

Molecular Properties

Compound Name[6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine
PubChem CID126983740
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine
SMILESCC1(CC2CC2)CCCC(CN)O1
InChIInChI=1S/C11H21NO/c1-11(7-9-4-5-9)6-2-3-10(8-12)13-11/h9-10H,2-8,12H2,1H3
InChIKeyHIJJVMHLGQAIJX-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine 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 [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine?
The IUPAC name of [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine (CID 126983740) is [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine.
What is the SMILES notation for [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine?
The canonical SMILES for [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine is CC1(CC2CC2)CCCC(CN)O1.
What is the InChIKey of [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine?
The InChIKey is HIJJVMHLGQAIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(7-9-4-5-9)6-2-3-10(8-12)13-11/h9-10H,2-8,12H2,1H3.
What are the key properties of [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine?
[6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine has a molecular weight of 183.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine is sourced from PubChem (CID 126983740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).