N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine

C16H31NO — CID 79903303

IUPACN-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
SMILESCCC(C)CC(C)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO/c1-4-13(2)11-14(3)17-15-7-10-18-16(12-15)8-5-6-9-16/h13-15,17H,4-12H2,1-3H3
InChIKeyDSMNIZXKXOLYIL-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds5

About N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine

N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79903303) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79903303
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
SMILESCCC(C)CC(C)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO/c1-4-13(2)11-14(3)17-15-7-10-18-16(12-15)8-5-6-9-16/h13-15,17H,4-12H2,1-3H3
InChIKeyDSMNIZXKXOLYIL-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
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-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899608
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895087
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904199
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
N-(4-methylhexan-2-yl)cyclopropanamine
CID 103439280
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine (CID 79903303) is N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine is CCC(C)CC(C)NC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is DSMNIZXKXOLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-13(2)11-14(3)17-15-7-10-18-16(12-15)8-5-6-9-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).