N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine

C18H33NO — CID 79923972

IUPACN-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
SMILESCCNC1CCCC(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C18H33NO/c1-2-19-17-8-6-7-15(13-17)16-9-12-20-18(14-16)10-4-3-5-11-18/h15-17,19H,2-14H2,1H3
InChIKeySTCTWRKLTOQPFA-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds3

About N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine

N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine (PubChem CID 79923972) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
PubChem CID79923972
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
SMILESCCNC1CCCC(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C18H33NO/c1-2-19-17-8-6-7-15(13-17)16-9-12-20-18(14-16)10-4-3-5-11-18/h15-17,19H,2-14H2,1H3
InChIKeySTCTWRKLTOQPFA-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79922469
N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79924283
4-(ethylamino)-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79922553
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
CID 79922466
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79920486
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103883997
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine (CID 79923972) is N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine is CCNC1CCCC(C2CCOC3(CCCCC3)C2)C1.
What is the InChIKey of N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
The InChIKey is STCTWRKLTOQPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-19-17-8-6-7-15(13-17)16-9-12-20-18(14-16)10-4-3-5-11-18/h15-17,19H,2-14H2,1H3.
What are the key properties of N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 79923972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).