1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol

C13H25NO — CID 103158303

IUPAC1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol
SMILESC/C=C/CCNCC(O)CC1CCCC1
InChIInChI=1S/C13H25NO/c1-2-3-6-9-14-11-13(15)10-12-7-4-5-8-12/h2-3,12-15H,4-11H2,1H3/b3-2+
InChIKeyNQHFCMLJPGEXGE-NSCUHMNNSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds7

About 1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol

1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol (PubChem CID 103158303) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol
PubChem CID103158303
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol
SMILESC/C=C/CCNCC(O)CC1CCCC1
InChIInChI=1S/C13H25NO/c1-2-3-6-9-14-11-13(15)10-12-7-4-5-8-12/h2-3,12-15H,4-11H2,1H3/b3-2+
InChIKeyNQHFCMLJPGEXGE-NSCUHMNNSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
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3-Cyclohex-2-en-1-yl-2-(propan-2-ylamino)propan-1-ol
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1-[(1R)-cyclohex-2-en-1-yl]-3-(methylamino)propan-1-ol
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(1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol
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(Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol
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3-Methyl-1-(3-methylhex-4-en-3-ylamino)hexan-2-ol
CID 169603147
2-Cyclohex-3-en-1-yl-2-(cyclopentylamino)ethanol
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2-(Cyclohex-3-en-1-ylmethylamino)cycloheptan-1-ol
CID 61950166

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol (CID 103158303) is 1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol is C/C=C/CCNCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol?
The InChIKey is NQHFCMLJPGEXGE-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-6-9-14-11-13(15)10-12-7-4-5-8-12/h2-3,12-15H,4-11H2,1H3/b3-2+.
What are the key properties of 1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol?
1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol is sourced from PubChem (CID 103158303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).