1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol

C13H23NO — CID 115663853

IUPAC1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol
SMILESC#CCC(CC)NCC1(O)CCCCC1
InChIInChI=1S/C13H23NO/c1-3-8-12(4-2)14-11-13(15)9-6-5-7-10-13/h1,12,14-15H,4-11H2,2H3
InChIKeyCQLDBNWBFOCQIQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.07
Rot. Bonds5

About 1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol

1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol (PubChem CID 115663853) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol
PubChem CID115663853
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol
SMILESC#CCC(CC)NCC1(O)CCCCC1
InChIInChI=1S/C13H23NO/c1-3-8-12(4-2)14-11-13(15)9-6-5-7-10-13/h1,12,14-15H,4-11H2,2H3
InChIKeyCQLDBNWBFOCQIQ-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
CID 106190470
N-ethylhex-5-yn-3-amine
CID 62233887
N-(cycloheptylmethyl)hex-5-yn-3-amine
CID 115685744
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 65111296
1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol
CID 63490367
1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol
CID 62406299
1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol
CID 65105370
1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol
CID 102274740
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile
CID 115359528
N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide
CID 77056350
1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea
CID 111439142

Frequently Asked Questions

What is the IUPAC name of 1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol (CID 115663853) is 1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol is C#CCC(CC)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is CQLDBNWBFOCQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-8-12(4-2)14-11-13(15)9-6-5-7-10-13/h1,12,14-15H,4-11H2,2H3.
What are the key properties of 1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol?
1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115663853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).