3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol

C11H21NO — CID 114493639

IUPAC3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC=CC1
InChIInChI=1S/C11H21NO/c1-3-11(13,4-2)9-12-10-7-5-6-8-10/h5-6,10,12-13H,3-4,7-9H2,1-2H3
InChIKeyUFMYCPUBPBHNLB-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.85
Rot. Bonds5

About 3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol

3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol (PubChem CID 114493639) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol
PubChem CID114493639
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC=CC1
InChIInChI=1S/C11H21NO/c1-3-11(13,4-2)9-12-10-7-5-6-8-10/h5-6,10,12-13H,3-4,7-9H2,1-2H3
InChIKeyUFMYCPUBPBHNLB-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 139814419
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1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol
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1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol
CID 169101034
1-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]cyclopropan-1-ol;hydrochloride
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1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride
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(3S)-3-propan-2-yl-1,2,4,7-tetrahydroazepin-3-ol
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CID 13610209

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol (CID 114493639) is 3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC1CC=CC1.
What is the InChIKey of 3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol?
The InChIKey is UFMYCPUBPBHNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-11(13,4-2)9-12-10-7-5-6-8-10/h5-6,10,12-13H,3-4,7-9H2,1-2H3.
What are the key properties of 3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol?
3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol has a molecular weight of 183.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopent-3-en-1-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 114493639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).