3-[(hept-6-enylamino)methyl]cyclobutan-1-ol

C12H23NO — CID 107006928

IUPAC3-[(hept-6-enylamino)methyl]cyclobutan-1-ol
SMILESC=CCCCCCNCC1CC(O)C1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-7-13-10-11-8-12(14)9-11/h2,11-14H,1,3-10H2
InChIKeyHISIRQXVUFHERR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds8

About 3-[(hept-6-enylamino)methyl]cyclobutan-1-ol

3-[(hept-6-enylamino)methyl]cyclobutan-1-ol (PubChem CID 107006928) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(hept-6-enylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(hept-6-enylamino)methyl]cyclobutan-1-ol
PubChem CID107006928
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(hept-6-enylamino)methyl]cyclobutan-1-ol
SMILESC=CCCCCCNCC1CC(O)C1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-7-13-10-11-8-12(14)9-11/h2,11-14H,1,3-10H2
InChIKeyHISIRQXVUFHERR-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
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

3-[(pent-4-enylamino)methyl]cyclopentan-1-ol
CID 106129726
3-[(but-3-enylamino)methyl]cyclopentan-1-ol
CID 106128983
3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol
CID 66004235
N-(2-bromoprop-2-enyl)hept-6-en-1-amine
CID 107007110
3-[(2-hydroxyethylamino)methyl]cyclobutan-1-ol
CID 66004874
N'-hept-6-enylethane-1,2-diamine
CID 107006766
N-(1,4-dithian-2-ylmethyl)hept-6-en-1-amine
CID 107007143
N-(2-methylprop-2-enyl)hept-6-en-1-amine
CID 107007189
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine
CID 107007732
N-propylnon-8-en-1-amine
CID 107010151
5-(pent-4-enylamino)pentan-1-ol
CID 107317245

Frequently Asked Questions

What is the IUPAC name of 3-[(hept-6-enylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(hept-6-enylamino)methyl]cyclobutan-1-ol (CID 107006928) is 3-[(hept-6-enylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(hept-6-enylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(hept-6-enylamino)methyl]cyclobutan-1-ol is C=CCCCCCNCC1CC(O)C1.
What is the InChIKey of 3-[(hept-6-enylamino)methyl]cyclobutan-1-ol?
The InChIKey is HISIRQXVUFHERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-6-7-13-10-11-8-12(14)9-11/h2,11-14H,1,3-10H2.
What are the key properties of 3-[(hept-6-enylamino)methyl]cyclobutan-1-ol?
3-[(hept-6-enylamino)methyl]cyclobutan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(hept-6-enylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 107006928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).