1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol

C13H27NO2 — CID 106115528

IUPAC1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol
SMILESCCCC(CCO)CNCC1(O)CCCC1
InChIInChI=1S/C13H27NO2/c1-2-5-12(6-9-15)10-14-11-13(16)7-3-4-8-13/h12,14-16H,2-11H2,1H3
InChIKeyNPQZHHHHVWAJSS-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.68
Rot. Bonds8

About 1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol

1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol (PubChem CID 106115528) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol
PubChem CID106115528
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol
SMILESCCCC(CCO)CNCC1(O)CCCC1
InChIInChI=1S/C13H27NO2/c1-2-5-12(6-9-15)10-14-11-13(16)7-3-4-8-13/h12,14-16H,2-11H2,1H3
InChIKeyNPQZHHHHVWAJSS-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol
CID 115756769
3-[(prop-2-ynylamino)methyl]hexan-1-ol
CID 106114791
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
1-[2-(2-hydroxyethyl)pentyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111506160
1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65121102
1-amino-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 106116803
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933
1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide
CID 106116673
4-[(2-methylpentylamino)methyl]thian-4-ol
CID 115904288
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol (CID 106115528) is 1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol is CCCC(CCO)CNCC1(O)CCCC1.
What is the InChIKey of 1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol?
The InChIKey is NPQZHHHHVWAJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-5-12(6-9-15)10-14-11-13(16)7-3-4-8-13/h12,14-16H,2-11H2,1H3.
What are the key properties of 1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol?
1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106115528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).