[2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

C16H34N2O2 — CID 79571919

IUPAC[2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCOCCCN(C)CCC1CCCC1(CO)NC(C)C
InChIInChI=1S/C16H34N2O2/c1-14(2)17-16(13-19)9-5-7-15(16)8-11-18(3)10-6-12-20-4/h14-15,17,19H,5-13H2,1-4H3
InChIKeyBZIOJVNVEYJRPA-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.87
Rot. Bonds10

About [2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

[2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79571919) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is [2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79571919
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name[2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCOCCCN(C)CCC1CCCC1(CO)NC(C)C
InChIInChI=1S/C16H34N2O2/c1-14(2)17-16(13-19)9-5-7-15(16)8-11-18(3)10-6-12-20-4/h14-15,17,19H,5-13H2,1-4H3
InChIKeyBZIOJVNVEYJRPA-UHFFFAOYSA-N
XLogP1.87
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79581006
[2-[2-(3-methoxypropoxy)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79580993
[2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571377
[2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571345
[2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79567491
[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79567218
[2-[2-[cyclopentyl(ethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79566933
[1-(cyclopropylamino)-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 82944341
[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 106450765
[1-(cyclopropylamino)-2-[2-[3-(dimethylamino)propyl-methylamino]ethyl]cyclopentyl]methanol
CID 79573412
[2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79586748
[2-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79570962

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79571919) is [2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is COCCCN(C)CCC1CCCC1(CO)NC(C)C.
What is the InChIKey of [2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is BZIOJVNVEYJRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-14(2)17-16(13-19)9-5-7-15(16)8-11-18(3)10-6-12-20-4/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of [2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
[2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 286.46 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79571919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).