N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C18H33NO — CID 63828343

IUPACN-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCOC1CCCCC1)C2
InChIInChI=1S/C18H33NO/c1-17(2)14-9-10-18(17,3)16(13-14)19-11-12-20-15-7-5-4-6-8-15/h14-16,19H,4-13H2,1-3H3
InChIKeyIDDPLNUVZWOMBF-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.14
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 63828343) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID63828343
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCOC1CCCCC1)C2
InChIInChI=1S/C18H33NO/c1-17(2)14-9-10-18(17,3)16(13-14)19-11-12-20-15-7-5-4-6-8-15/h14-16,19H,4-13H2,1-3H3
InChIKeyIDDPLNUVZWOMBF-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 63828343) is N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCCOC1CCCCC1)C2.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is IDDPLNUVZWOMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-17(2)14-9-10-18(17,3)16(13-14)19-11-12-20-15-7-5-4-6-8-15/h14-16,19H,4-13H2,1-3H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63828343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).