N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine

C19H35NO — CID 79899608

IUPACN-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCC(NC1CCOC2(CCCCC2)C1)C1CCCCC1
InChIInChI=1S/C19H35NO/c1-2-18(16-9-5-3-6-10-16)20-17-11-14-21-19(15-17)12-7-4-8-13-19/h16-18,20H,2-15H2,1H3
InChIKeyDKHXIOWHAGXFNB-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.82
Rot. Bonds4

About N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine

N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79899608) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79899608
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC NameN-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCC(NC1CCOC2(CCCCC2)C1)C1CCCCC1
InChIInChI=1S/C19H35NO/c1-2-18(16-9-5-3-6-10-16)20-17-11-14-21-19(15-17)12-7-4-8-13-19/h16-18,20H,2-15H2,1H3
InChIKeyDKHXIOWHAGXFNB-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904199
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113488726
N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895449
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79899608) is N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine is CCC(NC1CCOC2(CCCCC2)C1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is DKHXIOWHAGXFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-18(16-9-5-3-6-10-16)20-17-11-14-21-19(15-17)12-7-4-8-13-19/h16-18,20H,2-15H2,1H3.
What are the key properties of N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 293.49 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79899608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).