2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol

C10H17NO — CID 127002760

IUPAC2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol
SMILESC#CCNCC1(O)CCCC1C
InChIInChI=1S/C10H17NO/c1-3-7-11-8-10(12)6-4-5-9(10)2/h1,9,11-12H,4-8H2,2H3
InChIKeyFXGINIJDGVSCJZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.76
Rot. Bonds3

About 2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol

2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol (PubChem CID 127002760) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol
PubChem CID127002760
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol
SMILESC#CCNCC1(O)CCCC1C
InChIInChI=1S/C10H17NO/c1-3-7-11-8-10(12)6-4-5-9(10)2/h1,9,11-12H,4-8H2,2H3
InChIKeyFXGINIJDGVSCJZ-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.76
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

2-Cyclopentyl-1-(ethylamino)propan-2-ol
CID 62772555
2-Cyclopentyl-1-(methylamino)propan-2-ol
CID 62772741
2-Cyclopentyl-1-(propylamino)propan-2-ol
CID 62772756
2-Cyclopentyl-1-(2-methylpropylamino)propan-2-ol
CID 62773564
2-Methyl-1-(methylaminomethyl)cyclopentan-1-ol
CID 65049737
1-(Ethylaminomethyl)-2-methylcyclopentan-1-ol
CID 65049787
2-Methyl-1-(propylaminomethyl)cyclopentan-1-ol
CID 65049789
2-Methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 65049791
1-[(Cyclopropylamino)methyl]-2-methylcyclopentan-1-ol
CID 65049842
1-[(Tert-butylamino)methyl]-2-methylcyclopentan-1-ol
CID 65049844
2-Methyl-1-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 65049898
1-[(2-Methoxyethylamino)methyl]-2-methylcyclopentan-1-ol
CID 65049900

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol (CID 127002760) is 2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol is C#CCNCC1(O)CCCC1C.
What is the InChIKey of 2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol?
The InChIKey is FXGINIJDGVSCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-7-11-8-10(12)6-4-5-9(10)2/h1,9,11-12H,4-8H2,2H3.
What are the key properties of 2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol?
2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 127002760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).