1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol

C14H25NO — CID 107907124

IUPAC1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2C=CCCC2)CCCCCC1
InChIInChI=1S/C14H25NO/c16-14(10-6-1-2-7-11-14)12-15-13-8-4-3-5-9-13/h4,8,13,15-16H,1-3,5-7,9-12H2
InChIKeyPTZJVIUPLQBTOE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds3

About 1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol

1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol (PubChem CID 107907124) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol
PubChem CID107907124
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2C=CCCC2)CCCCCC1
InChIInChI=1S/C14H25NO/c16-14(10-6-1-2-7-11-14)12-15-13-8-4-3-5-9-13/h4,8,13,15-16H,1-3,5-7,9-12H2
InChIKeyPTZJVIUPLQBTOE-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol (CID 107907124) is 1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol is OC1(CNC2C=CCCC2)CCCCCC1.
What is the InChIKey of 1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol?
The InChIKey is PTZJVIUPLQBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c16-14(10-6-1-2-7-11-14)12-15-13-8-4-3-5-9-13/h4,8,13,15-16H,1-3,5-7,9-12H2.
What are the key properties of 1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol?
1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 107907124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).