N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine

C19H35NO — CID 79908691

IUPACN-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCC(C)C1)C1CCOC2(CCC2)C1
InChIInChI=1S/C19H35NO/c1-3-11-20-18(16-7-4-6-15(2)13-16)17-8-12-21-19(14-17)9-5-10-19/h15-18,20H,3-14H2,1-2H3
InChIKeyLYYBWQDOBJIHEG-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.53
Rot. Bonds5

About N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine

N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine (PubChem CID 79908691) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
PubChem CID79908691
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCC(C)C1)C1CCOC2(CCC2)C1
InChIInChI=1S/C19H35NO/c1-3-11-20-18(16-7-4-6-15(2)13-16)17-8-12-21-19(14-17)9-5-10-19/h15-18,20H,3-14H2,1-2H3
InChIKeyLYYBWQDOBJIHEG-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(3-methylcyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910791
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 115824817
N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 104992139
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 79911261
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914646
N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propoxyethyl]propan-1-amine
CID 79914384

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine (CID 79908691) is N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine is CCCNC(C1CCCC(C)C1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
The InChIKey is LYYBWQDOBJIHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-3-11-20-18(16-7-4-6-15(2)13-16)17-8-12-21-19(14-17)9-5-10-19/h15-18,20H,3-14H2,1-2H3.
What are the key properties of N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine is sourced from PubChem (CID 79908691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).