[1-[(hexylamino)methyl]cyclopentyl]methanol

C13H27NO — CID 115358683

IUPAC[1-[(hexylamino)methyl]cyclopentyl]methanol
SMILESCCCCCCNCC1(CO)CCCC1
InChIInChI=1S/C13H27NO/c1-2-3-4-7-10-14-11-13(12-15)8-5-6-9-13/h14-15H,2-12H2,1H3
InChIKeySHPITYRCVAKXTG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds8

About [1-[(hexylamino)methyl]cyclopentyl]methanol

[1-[(hexylamino)methyl]cyclopentyl]methanol (PubChem CID 115358683) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-[(hexylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(hexylamino)methyl]cyclopentyl]methanol
PubChem CID115358683
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-[(hexylamino)methyl]cyclopentyl]methanol
SMILESCCCCCCNCC1(CO)CCCC1
InChIInChI=1S/C13H27NO/c1-2-3-4-7-10-14-11-13(12-15)8-5-6-9-13/h14-15H,2-12H2,1H3
InChIKeySHPITYRCVAKXTG-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670

Frequently Asked Questions

What is the IUPAC name of [1-[(hexylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(hexylamino)methyl]cyclopentyl]methanol (CID 115358683) is [1-[(hexylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(hexylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(hexylamino)methyl]cyclopentyl]methanol is CCCCCCNCC1(CO)CCCC1.
What is the InChIKey of [1-[(hexylamino)methyl]cyclopentyl]methanol?
The InChIKey is SHPITYRCVAKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-4-7-10-14-11-13(12-15)8-5-6-9-13/h14-15H,2-12H2,1H3.
What are the key properties of [1-[(hexylamino)methyl]cyclopentyl]methanol?
[1-[(hexylamino)methyl]cyclopentyl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(hexylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).