1,3-bis[cyclooctyl(methyl)amino]propan-2-ol

C21H42N2O — CID 130316337

IUPAC1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
SMILESCN(CC(O)CN(C)C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C21H42N2O/c1-22(19-13-9-5-3-6-10-14-19)17-21(24)18-23(2)20-15-11-7-4-8-12-16-20/h19-21,24H,3-18H2,1-2H3
InChIKeyMDJLZWJMMLAGIV-UHFFFAOYSA-N
MW338.58 g/mol
LogP4.44
Rot. Bonds6

About 1,3-bis[cyclooctyl(methyl)amino]propan-2-ol

1,3-bis[cyclooctyl(methyl)amino]propan-2-ol (PubChem CID 130316337) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 1,3-bis[cyclooctyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
PubChem CID130316337
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
SMILESCN(CC(O)CN(C)C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C21H42N2O/c1-22(19-13-9-5-3-6-10-14-19)17-21(24)18-23(2)20-15-11-7-4-8-12-16-20/h19-21,24H,3-18H2,1-2H3
InChIKeyMDJLZWJMMLAGIV-UHFFFAOYSA-N
XLogP4.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60704158
4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid
CID 82778087
methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate
CID 115123560
1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111488970
N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
CID 64797293
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289
methane;methanol;N-methyl-N-(2-methylpropyl)cyclobutanamine
CID 155582647
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[cyclooctyl(methyl)amino]propan-2-ol?
The IUPAC name of 1,3-bis[cyclooctyl(methyl)amino]propan-2-ol (CID 130316337) is 1,3-bis[cyclooctyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1,3-bis[cyclooctyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1,3-bis[cyclooctyl(methyl)amino]propan-2-ol is CN(CC(O)CN(C)C1CCCCCCC1)C1CCCCCCC1.
What is the InChIKey of 1,3-bis[cyclooctyl(methyl)amino]propan-2-ol?
The InChIKey is MDJLZWJMMLAGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-22(19-13-9-5-3-6-10-14-19)17-21(24)18-23(2)20-15-11-7-4-8-12-16-20/h19-21,24H,3-18H2,1-2H3.
What are the key properties of 1,3-bis[cyclooctyl(methyl)amino]propan-2-ol?
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol has a molecular weight of 338.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[cyclooctyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 130316337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).