1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol

C11H21NO — CID 83906776

IUPAC1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
SMILESNCC1(O)CCCC2CCCCC21
InChIInChI=1S/C11H21NO/c12-8-11(13)7-3-5-9-4-1-2-6-10(9)11/h9-10,13H,1-8,12H2
InChIKeyUDRDGRLXPGICPP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.67
Rot. Bonds1

About 1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol

1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol (PubChem CID 83906776) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
PubChem CID83906776
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
SMILESNCC1(O)CCCC2CCCCC21
InChIInChI=1S/C11H21NO/c12-8-11(13)7-3-5-9-4-1-2-6-10(9)11/h9-10,13H,1-8,12H2
InChIKeyUDRDGRLXPGICPP-UHFFFAOYSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-ethylcyclohexan-1-ol
CID 43809276
2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate
CID 147745082
2-cyclohexyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222330
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol
CID 90293907
2-cyclononylcyclononane-1,1-diol
CID 23113232
7-ethylbicyclo[4.2.0]octan-7-ol
CID 90296470
(4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol
CID 83905743
1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol
CID 60799193
1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79126430
1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol
CID 80603544
1-[(3-bromothiophen-2-yl)methyl]-2-cyclohexylcyclohexan-1-ol
CID 65147937

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol (CID 83906776) is 1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol is NCC1(O)CCCC2CCCCC21.
What is the InChIKey of 1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
The InChIKey is UDRDGRLXPGICPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c12-8-11(13)7-3-5-9-4-1-2-6-10(9)11/h9-10,13H,1-8,12H2.
What are the key properties of 1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol is sourced from PubChem (CID 83906776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).