4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol

C13H25NO — CID 65116293

IUPAC4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCCCNCC1(O)CCC(C)CC1
InChIInChI=1S/C13H25NO/c1-3-4-5-10-14-11-13(15)8-6-12(2)7-9-13/h3,12,14-15H,1,4-11H2,2H3
InChIKeyKXMVGHRRAYGHDD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds6

About 4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol (PubChem CID 65116293) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
PubChem CID65116293
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCCCNCC1(O)CCC(C)CC1
InChIInChI=1S/C13H25NO/c1-3-4-5-10-14-11-13(15)8-6-12(2)7-9-13/h3,12,14-15H,1,4-11H2,2H3
InChIKeyKXMVGHRRAYGHDD-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol (CID 65116293) is 4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol is C=CCCCNCC1(O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is KXMVGHRRAYGHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-10-14-11-13(15)8-6-12(2)7-9-13/h3,12,14-15H,1,4-11H2,2H3.
What are the key properties of 4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).