2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C15H28N2O — CID 113399564

IUPAC2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNCC1(CN2CC3CCC(O)C3C2)CCCCC1
InChIInChI=1S/C15H28N2O/c16-10-15(6-2-1-3-7-15)11-17-8-12-4-5-14(18)13(12)9-17/h12-14,18H,1-11,16H2
InChIKeyCRAGMHXLDNPALS-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.60
Rot. Bonds3

About 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 113399564) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID113399564
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNCC1(CN2CC3CCC(O)C3C2)CCCCC1
InChIInChI=1S/C15H28N2O/c16-10-15(6-2-1-3-7-15)11-17-8-12-4-5-14(18)13(12)9-17/h12-14,18H,1-11,16H2
InChIKeyCRAGMHXLDNPALS-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol with MolForge

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Related Compounds

1-[[1-(aminomethyl)cyclopentyl]methyl]azetidin-3-ol
CID 130878081
N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide
CID 113399250
[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine
CID 114196547
[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
CID 112629002
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol
CID 113336189
2-[[1-(aminomethyl)cyclohexyl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115792
1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidine-3,4-diol
CID 106674387
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-3,4-diol
CID 106674244
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanethiol
CID 115562971
[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
CID 79170228
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 113399564) is 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is NCC1(CN2CC3CCC(O)C3C2)CCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is CRAGMHXLDNPALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c16-10-15(6-2-1-3-7-15)11-17-8-12-4-5-14(18)13(12)9-17/h12-14,18H,1-11,16H2.
What are the key properties of 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 252.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 113399564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).