1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol

C14H27NO2 — CID 103158401

IUPAC1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
SMILESC=C(C)COCCNCC(O)CC1CCCC1
InChIInChI=1S/C14H27NO2/c1-12(2)11-17-8-7-15-10-14(16)9-13-5-3-4-6-13/h13-16H,1,3-11H2,2H3
InChIKeyFDZMOSOCQQKXTQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.11
Rot. Bonds9

About 1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol

1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol (PubChem CID 103158401) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
PubChem CID103158401
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
SMILESC=C(C)COCCNCC(O)CC1CCCC1
InChIInChI=1S/C14H27NO2/c1-12(2)11-17-8-7-15-10-14(16)9-13-5-3-4-6-13/h13-16H,1,3-11H2,2H3
InChIKeyFDZMOSOCQQKXTQ-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-Hydroxypropyl-[16-methyl-3-(2-methylprop-2-enoxy)heptadecyl]azanium chloride
CID 139770185
1-Cyclopentyl-3-(2-methoxyethylamino)propan-2-ol
CID 65987382
1-Cyclopentyl-3-(3-ethoxypropylamino)propan-2-ol
CID 103157154
1-Cyclopentyl-3-(2-ethoxyethylamino)propan-2-ol
CID 103157312
1-(2-Butoxyethylamino)-3-cyclopentylpropan-2-ol
CID 103157414
1-Cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol
CID 103157582
1-Cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol
CID 103157602
1-Cyclopentyl-3-(3-propoxypropylamino)propan-2-ol
CID 103158200
1-Cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-Cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 103158288
1-Cyclopentyl-3-(2-ethoxypropylamino)propan-2-ol
CID 103158318
1-(3-Butoxypropylamino)-3-cyclopentylpropan-2-ol
CID 103158330

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol (CID 103158401) is 1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol is C=C(C)COCCNCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The InChIKey is FDZMOSOCQQKXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)11-17-8-7-15-10-14(16)9-13-5-3-4-6-13/h13-16H,1,3-11H2,2H3.
What are the key properties of 1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 103158401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).