3-[(1-aminocyclopentyl)methoxy]propan-1-ol

C9H19NO2 — CID 106938228

IUPAC3-[(1-aminocyclopentyl)methoxy]propan-1-ol
SMILESNC1(COCCCO)CCCC1
InChIInChI=1S/C9H19NO2/c10-9(4-1-2-5-9)8-12-7-3-6-11/h11H,1-8,10H2
InChIKeyVHZCUAKHGNASNV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.66
Rot. Bonds5

About 3-[(1-aminocyclopentyl)methoxy]propan-1-ol

3-[(1-aminocyclopentyl)methoxy]propan-1-ol (PubChem CID 106938228) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[(1-aminocyclopentyl)methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(1-aminocyclopentyl)methoxy]propan-1-ol
PubChem CID106938228
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[(1-aminocyclopentyl)methoxy]propan-1-ol
SMILESNC1(COCCCO)CCCC1
InChIInChI=1S/C9H19NO2/c10-9(4-1-2-5-9)8-12-7-3-6-11/h11H,1-8,10H2
InChIKeyVHZCUAKHGNASNV-UHFFFAOYSA-N
XLogP0.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Propoxymethyl)cyclopentan-1-amine
CID 11693941
1-(Ethoxymethyl)cyclopentan-1-amine
CID 53440234
1-(Butoxymethyl)cyclopentan-1-amine
CID 64574153
(1-Aminocyclopentyl)methanol;ethane
CID 143090374
CID 157241161
CID 157241161
1-(Hexoxymethyl)cyclopentan-1-amine
CID 64571816
1-(3-Methoxypropoxymethyl)cyclopentan-1-amine
CID 64572456
1-(Pentoxymethyl)cyclopentan-1-amine
CID 64574592
2-Amino-3-(2-ethylhexoxy)-2-methylpropan-1-ol
CID 64802948
1-(3-Ethoxypropoxymethyl)cyclopentan-1-amine
CID 65180758
2-Amino-6-(cyclopentylmethoxy)-2-methylhexan-1-ol
CID 66321454
2-Amino-3-(cyclopentylmethoxy)-2-cyclopropylpropan-1-ol
CID 66324225

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopentyl)methoxy]propan-1-ol?
The IUPAC name of 3-[(1-aminocyclopentyl)methoxy]propan-1-ol (CID 106938228) is 3-[(1-aminocyclopentyl)methoxy]propan-1-ol.
What is the SMILES notation for 3-[(1-aminocyclopentyl)methoxy]propan-1-ol?
The canonical SMILES for 3-[(1-aminocyclopentyl)methoxy]propan-1-ol is NC1(COCCCO)CCCC1.
What is the InChIKey of 3-[(1-aminocyclopentyl)methoxy]propan-1-ol?
The InChIKey is VHZCUAKHGNASNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c10-9(4-1-2-5-9)8-12-7-3-6-11/h11H,1-8,10H2.
What are the key properties of 3-[(1-aminocyclopentyl)methoxy]propan-1-ol?
3-[(1-aminocyclopentyl)methoxy]propan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopentyl)methoxy]propan-1-ol is sourced from PubChem (CID 106938228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).