7-methylidene-2-(propan-2-yloxymethyl)azocane

C12H23NO — CID 172627679

IUPAC7-methylidene-2-(propan-2-yloxymethyl)azocane
SMILESC=C1CCCCC(COC(C)C)NC1
InChIInChI=1S/C12H23NO/c1-10(2)14-9-12-7-5-4-6-11(3)8-13-12/h10,12-13H,3-9H2,1-2H3
InChIKeyVPOKHBIOJVPEAG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds3

About 7-methylidene-2-(propan-2-yloxymethyl)azocane

7-methylidene-2-(propan-2-yloxymethyl)azocane (PubChem CID 172627679) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 7-methylidene-2-(propan-2-yloxymethyl)azocane.

Molecular Properties

Compound Name7-methylidene-2-(propan-2-yloxymethyl)azocane
PubChem CID172627679
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name7-methylidene-2-(propan-2-yloxymethyl)azocane
SMILESC=C1CCCCC(COC(C)C)NC1
InChIInChI=1S/C12H23NO/c1-10(2)14-9-12-7-5-4-6-11(3)8-13-12/h10,12-13H,3-9H2,1-2H3
InChIKeyVPOKHBIOJVPEAG-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-methyl-5-methylideneheptan-3-amine
CID 66037099
2-ethoxy-N-ethyl-5-methylideneheptan-3-amine
CID 66037100
2-ethoxy-5-methylidene-N-propylheptan-3-amine
CID 66037101
N-methyl-3-methylidene-1-(oxolan-2-yl)pentan-1-amine
CID 66037575
N-ethyl-3-methylidene-1-(oxolan-2-yl)pentan-1-amine
CID 66037576
3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 66037811
N-ethyl-4-methylidene-1-propoxyhexan-2-amine
CID 66038272
4-methylidene-1-propoxy-N-propylhexan-2-amine
CID 66038509
1-ethoxy-N-ethyl-4-methylidenehexan-2-amine
CID 66039966
1-ethoxy-4-methylidene-N-propylhexan-2-amine
CID 66040198
N-ethyl-2-methyl-1-(oxolan-2-yl)prop-2-en-1-amine
CID 79180265
2-methyl-1-(oxolan-2-yl)-N-propylprop-2-en-1-amine
CID 79180436

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-2-(propan-2-yloxymethyl)azocane?
The IUPAC name of 7-methylidene-2-(propan-2-yloxymethyl)azocane (CID 172627679) is 7-methylidene-2-(propan-2-yloxymethyl)azocane.
What is the SMILES notation for 7-methylidene-2-(propan-2-yloxymethyl)azocane?
The canonical SMILES for 7-methylidene-2-(propan-2-yloxymethyl)azocane is C=C1CCCCC(COC(C)C)NC1.
What is the InChIKey of 7-methylidene-2-(propan-2-yloxymethyl)azocane?
The InChIKey is VPOKHBIOJVPEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)14-9-12-7-5-4-6-11(3)8-13-12/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 7-methylidene-2-(propan-2-yloxymethyl)azocane?
7-methylidene-2-(propan-2-yloxymethyl)azocane has a molecular weight of 197.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-2-(propan-2-yloxymethyl)azocane is sourced from PubChem (CID 172627679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).