[1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol

C15H21NO3 — CID 79135921

IUPAC[1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol
SMILESNCC1(C(O)c2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C15H21NO3/c16-9-15(6-2-1-3-7-15)14(17)11-4-5-12-13(8-11)19-10-18-12/h4-5,8,14,17H,1-3,6-7,9-10,16H2
InChIKeyBNMBJODEWSMKCP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.36
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol

[1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol (PubChem CID 79135921) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol
PubChem CID79135921
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol
SMILESNCC1(C(O)c2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C15H21NO3/c16-9-15(6-2-1-3-7-15)14(17)11-4-5-12-13(8-11)19-10-18-12/h4-5,8,14,17H,1-3,6-7,9-10,16H2
InChIKeyBNMBJODEWSMKCP-UHFFFAOYSA-N
XLogP2.36
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(1,3-benzodioxol-5-yl)methanol
CID 79135284
[1-(aminomethyl)cycloheptyl]-(7-bromo-1,3-benzodioxol-5-yl)methanol
CID 79126179
[3-(aminomethyl)oxan-3-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 103716034
1-[1,3-benzodioxol-5-yl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79136687
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
[1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol
CID 79138649
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
[1-(aminomethyl)cyclobutyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241184
1,3-benzodioxol-5-yl-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943952
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
[1-(aminomethyl)cyclobutyl]-(furan-3-yl)methanol
CID 79138177

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol (CID 79135921) is [1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol is NCC1(C(O)c2ccc3c(c2)OCO3)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol?
The InChIKey is BNMBJODEWSMKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c16-9-15(6-2-1-3-7-15)14(17)11-4-5-12-13(8-11)19-10-18-12/h4-5,8,14,17H,1-3,6-7,9-10,16H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol?
[1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol has a molecular weight of 263.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol is sourced from PubChem (CID 79135921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).