1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine

C13H25NO — CID 107007732

IUPAC1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine
SMILESC=CCCCCCOC1CC(CNC)C1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-8-15-13-9-12(10-13)11-14-2/h3,12-14H,1,4-11H2,2H3
InChIKeyPTGLHZNVPRJGOU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds9

About 1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine

1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine (PubChem CID 107007732) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine
PubChem CID107007732
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine
SMILESC=CCCCCCOC1CC(CNC)C1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-8-15-13-9-12(10-13)11-14-2/h3,12-14H,1,4-11H2,2H3
InChIKeyPTGLHZNVPRJGOU-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate
CID 178156081
4-[5-(but-3-enylamino)pentoxy]-N-methylcyclohexan-1-amine
CID 174464213
3-[(hept-6-enylamino)methyl]cyclobutan-1-ol
CID 107006928
1-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol
CID 106938597
1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine
CID 115486785
(3S)-3-hept-6-enoxypiperidine
CID 107007733
12-dodec-11-enoxydodec-1-ene
CID 87325659
3-hept-6-enoxypyrrolidine-1-carboxylic acid
CID 175825643
1-hept-6-enyl-2-methylcyclopropane
CID 173435443
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
[4-[6-(but-3-enylamino)hexoxy]cyclohexyl]methylsulfamic acid
CID 141050239

Frequently Asked Questions

What is the IUPAC name of 1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine?
The IUPAC name of 1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine (CID 107007732) is 1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine is C=CCCCCCOC1CC(CNC)C1.
What is the InChIKey of 1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine?
The InChIKey is PTGLHZNVPRJGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-7-8-15-13-9-12(10-13)11-14-2/h3,12-14H,1,4-11H2,2H3.
What are the key properties of 1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine?
1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine is sourced from PubChem (CID 107007732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).