N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine

C16H33NO2 — CID 55088056

IUPACN-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
SMILESCOCCNCCCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H33NO2/c1-13(2)15-7-6-14(3)12-16(15)19-10-5-8-17-9-11-18-4/h13-17H,5-12H2,1-4H3
InChIKeyOTPZYFINWBIPMS-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.09
Rot. Bonds9

About N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine

N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine (PubChem CID 55088056) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
PubChem CID55088056
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
SMILESCOCCNCCCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H33NO2/c1-13(2)15-7-6-14(3)12-16(15)19-10-5-8-17-9-11-18-4/h13-17H,5-12H2,1-4H3
InChIKeyOTPZYFINWBIPMS-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-1-amine
CID 63505523
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
CID 62445917
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
CID 55088055
1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine
CID 107506656
N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine
CID 106800782

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine (CID 55088056) is N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine is COCCNCCCOC1CC(C)CCC1C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine?
The InChIKey is OTPZYFINWBIPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-13(2)15-7-6-14(3)12-16(15)19-10-5-8-17-9-11-18-4/h13-17H,5-12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine?
N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine is sourced from PubChem (CID 55088056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).