N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine

C19H35NO — CID 79907861

IUPACN-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C19H35NO/c1-2-13-20-18(16-8-4-3-5-9-16)17-10-14-21-19(15-17)11-6-7-12-19/h16-18,20H,2-15H2,1H3
InChIKeyKFOPBIVIOUQZAG-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.67
Rot. Bonds5

About N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine

N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine (PubChem CID 79907861) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
PubChem CID79907861
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C19H35NO/c1-2-13-20-18(16-8-4-3-5-9-16)17-10-14-21-19(15-17)11-6-7-12-19/h16-18,20H,2-15H2,1H3
InChIKeyKFOPBIVIOUQZAG-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
N-[(3-methylcyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910791
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79908691
N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700
N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 115824817
[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105201946
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine (CID 79907861) is N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine is CCCNC(C1CCCCC1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The InChIKey is KFOPBIVIOUQZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-13-20-18(16-8-4-3-5-9-16)17-10-14-21-19(15-17)11-6-7-12-19/h16-18,20H,2-15H2,1H3.
What are the key properties of N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine is sourced from PubChem (CID 79907861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).