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

C12H21NO — CID 115664087

IUPAC1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
SMILESC#CCCCNCC1(O)CCCCC1
InChIInChI=1S/C12H21NO/c1-2-3-7-10-13-11-12(14)8-5-4-6-9-12/h1,13-14H,3-11H2
InChIKeyFAISHSPLTQBJAE-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.68
Rot. Bonds5

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

1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol (PubChem CID 115664087) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
PubChem CID115664087
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
SMILESC#CCCCNCC1(O)CCCCC1
InChIInChI=1S/C12H21NO/c1-2-3-7-10-13-11-12(14)8-5-4-6-9-12/h1,13-14H,3-11H2
InChIKeyFAISHSPLTQBJAE-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol
CID 65105370
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
4-[(1-hydroxycycloheptyl)methylamino]butanamide
CID 60908501
4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
CID 65211357
1-[(hept-6-enylamino)methyl]cycloheptan-1-ol
CID 107006904
1-[(3-morpholin-4-ylpropylamino)methyl]cyclohexan-1-ol
CID 60899322

Frequently Asked Questions

What is the IUPAC name of 1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol (CID 115664087) is 1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol is C#CCCCNCC1(O)CCCCC1.
What is the InChIKey of 1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol?
The InChIKey is FAISHSPLTQBJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-7-10-13-11-12(14)8-5-4-6-9-12/h1,13-14H,3-11H2.
What are the key properties of 1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol?
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115664087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).