4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine

C16H31NO — CID 102896947

IUPAC4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
SMILESCC(C)CCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO/c1-14(2)7-6-12-17-13-15-8-11-16(18-15)9-4-3-5-10-16/h14-15,17H,3-13H2,1-2H3
InChIKeyPDFNDJIGRAUUKA-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds6

About 4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine

4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine (PubChem CID 102896947) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
PubChem CID102896947
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
SMILESCC(C)CCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO/c1-14(2)7-6-12-17-13-15-8-11-16(18-15)9-4-3-5-10-16/h14-15,17H,3-13H2,1-2H3
InChIKeyPDFNDJIGRAUUKA-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
3-[(2,4-difluorocyclohexyl)methyl]-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 166960836
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102897661
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 103524797
2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 105910762
2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 106292007

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine (CID 102896947) is 4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine is CC(C)CCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
The InChIKey is PDFNDJIGRAUUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14(2)7-6-12-17-13-15-8-11-16(18-15)9-4-3-5-10-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 102896947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).