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

C16H31NO — CID 102848156

IUPAC3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine
SMILESCCC(C)C(C)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO/c1-4-13(2)14(3)17-12-15-8-11-16(18-15)9-6-5-7-10-16/h13-15,17H,4-12H2,1-3H3
InChIKeyRWHGKDNTODPXPO-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds5

About 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine

3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine (PubChem CID 102848156) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine
PubChem CID102848156
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine
SMILESCCC(C)C(C)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO/c1-4-13(2)14(3)17-12-15-8-11-16(18-15)9-6-5-7-10-16/h13-15,17H,4-12H2,1-3H3
InChIKeyRWHGKDNTODPXPO-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

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
4-Methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 75504707
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
3-[(2,4-difluorocyclohexyl)methyl]-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 166960836
N-[1-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756483
N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758061
N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759795
N-ethyl-4,4,4-trifluoro-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174801
4,4,4-trifluoro-1-(2-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 80175005
N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 80183075
N-[(2-methyloxolan-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 80183412

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine?
The IUPAC name of 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine (CID 102848156) is 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine is CCC(C)C(C)NCC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine?
The InChIKey is RWHGKDNTODPXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-13(2)14(3)17-12-15-8-11-16(18-15)9-6-5-7-10-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine?
3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-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 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 102848156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).