4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine

C13H23NO — CID 142935844

IUPAC4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(CC2=CCCOCC2)CC1
InChIInChI=1S/C13H23NO/c14-13-5-3-12(4-6-13)10-11-2-1-8-15-9-7-11/h2,12-13H,1,3-10,14H2
InChIKeyZQHLHIGHACMYIK-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.63
Rot. Bonds2

About 4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine

4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine (PubChem CID 142935844) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine
PubChem CID142935844
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(CC2=CCCOCC2)CC1
InChIInChI=1S/C13H23NO/c14-13-5-3-12(4-6-13)10-11-2-1-8-15-9-7-11/h2,12-13H,1,3-10,14H2
InChIKeyZQHLHIGHACMYIK-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.63
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

Cyclohepten-1-yl(oxan-4-yl)methanamine
CID 62905141
Cyclohepten-1-yl(oxan-3-yl)methanamine
CID 63014880
3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654
3-(Oxolan-3-yl)cyclohex-2-en-1-amine
CID 65171993
3-(Oxan-4-ylmethyl)cyclohex-2-en-1-amine
CID 65172158
3-(Oxan-4-yl)cyclohex-2-en-1-amine
CID 65172307
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465
3-(Oxan-4-yl)cyclopent-2-en-1-amine
CID 65174636
3-(1-Methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177087
5,5-Dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-amine
CID 65177187
3-(1-Oxaspiro[5.5]undecan-4-yl)cyclopent-2-en-1-amine
CID 79924117
4-(Oxolan-3-yl)cyclohex-3-en-1-amine
CID 83261130

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine (CID 142935844) is 4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine is NC1CCC(CC2=CCCOCC2)CC1.
What is the InChIKey of 4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is ZQHLHIGHACMYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-13-5-3-12(4-6-13)10-11-2-1-8-15-9-7-11/h2,12-13H,1,3-10,14H2.
What are the key properties of 4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine?
4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,6,7-tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 142935844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).