1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol

C16H33NO — CID 71071164

IUPAC1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol
SMILESCCC(O)N(C)C1CCCCCCC1CC(C)C
InChIInChI=1S/C16H33NO/c1-5-16(18)17(4)15-11-9-7-6-8-10-14(15)12-13(2)3/h13-16,18H,5-12H2,1-4H3
InChIKeyCNEOUJRAURCRGD-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.03
Rot. Bonds5

About 1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol

1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol (PubChem CID 71071164) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol
PubChem CID71071164
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol
SMILESCCC(O)N(C)C1CCCCCCC1CC(C)C
InChIInChI=1S/C16H33NO/c1-5-16(18)17(4)15-11-9-7-6-8-10-14(15)12-13(2)3/h13-16,18H,5-12H2,1-4H3
InChIKeyCNEOUJRAURCRGD-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 44271496
4-[[(4S)-1-fluoro-4-propan-2-ylnonan-2-yl]-methylamino]butan-2-ol
CID 126647640
1-[1-Hydroxyethyl(2-octyldodecyl)amino]ethanol
CID 19019049
2-[Bis(8-methylnonyl)amino]propan-1-ol
CID 20496395
2-[Bis(3,7-dimethyloctyl)amino]butan-1-ol
CID 53638074
2-[Bis(3,7-dimethyloctyl)amino]-2-methylpropan-1-ol
CID 53757657
2-[Bis(3,7-dimethyloctyl)amino]ethanol
CID 53926056
3-[2-Ethyloctadecyl(3-hydroxypropyl)amino]propan-1-ol
CID 53993650
3-(Diethylamino)-7-nonylheptacosan-1-ol
CID 57322633
3-[Ethyl-(2-ethylcyclooctyl)amino]propan-1-ol
CID 71071053
N,2-diethylcyclooctan-1-amine;propan-1-ol
CID 71071054
1-[Ethyl-(2-ethylcyclooctyl)amino]propan-1-ol
CID 71071056

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol?
The IUPAC name of 1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol (CID 71071164) is 1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol.
What is the SMILES notation for 1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol?
The canonical SMILES for 1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol is CCC(O)N(C)C1CCCCCCC1CC(C)C.
What is the InChIKey of 1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol?
The InChIKey is CNEOUJRAURCRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-16(18)17(4)15-11-9-7-6-8-10-14(15)12-13(2)3/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol?
1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(2-methylpropyl)cyclooctyl]amino]propan-1-ol is sourced from PubChem (CID 71071164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).