2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

C16H33NO — CID 62486524

IUPAC2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(OCC1CCCCC1)C(C)C
InChIInChI=1S/C16H33NO/c1-13(2)10-17-11-16(14(3)4)18-12-15-8-6-5-7-9-15/h13-17H,5-12H2,1-4H3
InChIKeyUVDXWWDKTZNOSR-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds8

About 2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 62486524) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID62486524
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(OCC1CCCCC1)C(C)C
InChIInChI=1S/C16H33NO/c1-13(2)10-17-11-16(14(3)4)18-12-15-8-6-5-7-9-15/h13-17H,5-12H2,1-4H3
InChIKeyUVDXWWDKTZNOSR-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62457054
2-(cyclopentylmethoxy)-N-(2-methylpropyl)butan-1-amine
CID 66322283
2-cyclobutyloxy-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62442194
2-(cycloheptylmethoxy)-N-methylpropan-1-amine
CID 165349469
N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62486552
N-ethyl-3-methyl-2-(oxolan-3-ylmethoxy)butan-1-amine
CID 62485416
6-(cyclopentylmethoxy)-N-(2-methylpropyl)hexan-1-amine
CID 66321215
2-(cyclopropylmethoxy)-3-methylbutan-1-amine
CID 62457455
N-[2-(cyclohexylmethoxy)propyl]butan-1-amine
CID 62585334
N-[2-[1-(cyclopentylmethoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274232
methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate
CID 114282489
3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine
CID 62485593

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 62486524) is 2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(OCC1CCCCC1)C(C)C.
What is the InChIKey of 2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is UVDXWWDKTZNOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)10-17-11-16(14(3)4)18-12-15-8-6-5-7-9-15/h13-17H,5-12H2,1-4H3.
What are the key properties of 2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62486524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).