4-[1-(aminomethyl)cyclopentyl]azepan-4-ol

C12H24N2O — CID 103983091

IUPAC4-[1-(aminomethyl)cyclopentyl]azepan-4-ol
SMILESNCC1(C2(O)CCCNCC2)CCCC1
InChIInChI=1S/C12H24N2O/c13-10-11(4-1-2-5-11)12(15)6-3-8-14-9-7-12/h14-15H,1-10,13H2
InChIKeySTJPDAYZVUVVND-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.01
Rot. Bonds2

About 4-[1-(aminomethyl)cyclopentyl]azepan-4-ol

4-[1-(aminomethyl)cyclopentyl]azepan-4-ol (PubChem CID 103983091) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopentyl]azepan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopentyl]azepan-4-ol
PubChem CID103983091
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[1-(aminomethyl)cyclopentyl]azepan-4-ol
SMILESNCC1(C2(O)CCCNCC2)CCCC1
InChIInChI=1S/C12H24N2O/c13-10-11(4-1-2-5-11)12(15)6-3-8-14-9-7-12/h14-15H,1-10,13H2
InChIKeySTJPDAYZVUVVND-UHFFFAOYSA-N
XLogP1.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol
CID 79135943
[(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine
CID 162367515
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
3-[1-(aminomethyl)-3-methylcyclopentyl]pyrrolidin-3-ol
CID 79134673
3-[1-(aminomethyl)cyclopropyl]azetidin-3-ol
CID 130513389
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]piperidin-4-ol
CID 79136036
1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile
CID 103983054
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
4-[1-(aminomethyl)cycloheptyl]-1-ethylazepan-4-ol
CID 79125587

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopentyl]azepan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)cyclopentyl]azepan-4-ol (CID 103983091) is 4-[1-(aminomethyl)cyclopentyl]azepan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopentyl]azepan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)cyclopentyl]azepan-4-ol is NCC1(C2(O)CCCNCC2)CCCC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclopentyl]azepan-4-ol?
The InChIKey is STJPDAYZVUVVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-10-11(4-1-2-5-11)12(15)6-3-8-14-9-7-12/h14-15H,1-10,13H2.
What are the key properties of 4-[1-(aminomethyl)cyclopentyl]azepan-4-ol?
4-[1-(aminomethyl)cyclopentyl]azepan-4-ol has a molecular weight of 212.34 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclopentyl]azepan-4-ol is sourced from PubChem (CID 103983091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).