1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine

C17H33NO — CID 55088055

IUPAC1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
SMILESCC1CCC(C(C)C)C(OCCNC(C)C2CC2)C1
InChIInChI=1S/C17H33NO/c1-12(2)16-8-5-13(3)11-17(16)19-10-9-18-14(4)15-6-7-15/h12-18H,5-11H2,1-4H3
InChIKeyHXFDBRQHYLZDFV-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.85
Rot. Bonds7

About 1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine

1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine (PubChem CID 55088055) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
PubChem CID55088055
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
SMILESCC1CCC(C(C)C)C(OCCNC(C)C2CC2)C1
InChIInChI=1S/C17H33NO/c1-12(2)16-8-5-13(3)11-17(16)19-10-9-18-14(4)15-6-7-15/h12-18H,5-11H2,1-4H3
InChIKeyHXFDBRQHYLZDFV-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-2-amine
CID 55194368
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
4-methyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-1-amine
CID 63505523
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
N-[1-cyclopropyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]propan-1-amine
CID 63907290
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 55088056
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine (CID 55088055) is 1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine is CC1CCC(C(C)C)C(OCCNC(C)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
The InChIKey is HXFDBRQHYLZDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)16-8-5-13(3)11-17(16)19-10-9-18-14(4)15-6-7-15/h12-18H,5-11H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine has a molecular weight of 267.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine is sourced from PubChem (CID 55088055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).