2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

C18H33NO — CID 105016192

IUPAC2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCCNC(C1CCOC2(CCCCC2)C1)C(C)C1CC1
InChIInChI=1S/C18H33NO/c1-3-19-17(14(2)15-7-8-15)16-9-12-20-18(13-16)10-5-4-6-11-18/h14-17,19H,3-13H2,1-2H3
InChIKeyWZOFMSBIUQQLAN-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.14
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 105016192) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID105016192
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCCNC(C1CCOC2(CCCCC2)C1)C(C)C1CC1
InChIInChI=1S/C18H33NO/c1-3-19-17(14(2)15-7-8-15)16-9-12-20-18(13-16)10-5-4-6-11-18/h14-17,19H,3-13H2,1-2H3
InChIKeyWZOFMSBIUQQLAN-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

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Related Compounds

2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116716937
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-[7-bicyclo[4.1.0]heptanyl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016661
N-ethyl-2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016200
N-ethyl-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914163
N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105016221
N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 79914001
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 105012146
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899
N-[6-oxaspiro[4.5]decan-9-yl(thian-2-yl)methyl]ethanamine
CID 80626187
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (CID 105016192) is 2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is CCNC(C1CCOC2(CCCCC2)C1)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is WZOFMSBIUQQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-19-17(14(2)15-7-8-15)16-9-12-20-18(13-16)10-5-4-6-11-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-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 2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 105016192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).