3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol

C15H31N3O — CID 106811396

IUPAC3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C15H31N3O/c1-3-15(19,12-16)8-4-9-18-10-7-13-5-6-14(11-18)17(13)2/h13-14,19H,3-12,16H2,1-2H3
InChIKeyRKAUYGYAKMLJLY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds6

About 3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol

3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol (PubChem CID 106811396) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol
PubChem CID106811396
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C15H31N3O/c1-3-15(19,12-16)8-4-9-18-10-7-13-5-6-14(11-18)17(13)2/h13-14,19H,3-12,16H2,1-2H3
InChIKeyRKAUYGYAKMLJLY-UHFFFAOYSA-N
XLogP1.03
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Amino-5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylpentan-2-ol
CID 64821397
1-Amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79169967
1-Amino-2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79169968
1-Amino-2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-2-ol
CID 79170043
1-Amino-2-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-2-ol
CID 79170116
1-Amino-2-cyclopropyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79170984
1-Amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
2-Methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(propan-2-ylamino)propan-2-ol
CID 79175135
2-Methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-2-ol
CID 79361027
5-(Aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol
CID 105434574
3-(Aminomethyl)-6-(2,4-dimethyl-1,4-diazepan-1-yl)hexan-3-ol
CID 105598499
3-(Aminomethyl)-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)hexan-3-ol
CID 105598518

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol (CID 106811396) is 3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol is CCC(O)(CN)CCCN1CCC2CCC(C1)N2C.
What is the InChIKey of 3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol?
The InChIKey is RKAUYGYAKMLJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-15(19,12-16)8-4-9-18-10-7-13-5-6-14(11-18)17(13)2/h13-14,19H,3-12,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol?
3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol has a molecular weight of 269.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol is sourced from PubChem (CID 106811396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).