3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol

C10H17NO — CID 106129449

IUPAC3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol
SMILESC#CC(C)NCC1CCC(O)C1
InChIInChI=1S/C10H17NO/c1-3-8(2)11-7-9-4-5-10(12)6-9/h1,8-12H,4-7H2,2H3
InChIKeyRFELAGRBQXLNJA-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.76
Rot. Bonds3

About 3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol

3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 106129449) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID106129449
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol
SMILESC#CC(C)NCC1CCC(O)C1
InChIInChI=1S/C10H17NO/c1-3-8(2)11-7-9-4-5-10(12)6-9/h1,8-12H,4-7H2,2H3
InChIKeyRFELAGRBQXLNJA-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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(1-cyclopropylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271439
3-[(pentan-3-ylamino)methyl]cyclopentan-1-ol
CID 103271506
3-[(pentan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271338
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 106121090
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977
3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]cyclopentan-1-ol
CID 103271409
3-[(1-ethoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271450
3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271362
N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine
CID 130481299
N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine
CID 134299771
N-carbamoyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
CID 106129954

Frequently Asked Questions

What is the IUPAC name of 3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol (CID 106129449) is 3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol is C#CC(C)NCC1CCC(O)C1.
What is the InChIKey of 3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is RFELAGRBQXLNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-8(2)11-7-9-4-5-10(12)6-9/h1,8-12H,4-7H2,2H3.
What are the key properties of 3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol?
3-[(but-3-yn-2-ylamino)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 3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106129449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).