N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine

C14H27NO — CID 102896549

IUPACN-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCCC(C)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H27NO/c1-3-12(2)15-11-13-7-10-14(16-13)8-5-4-6-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyQRHKTUZWRGPOPX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds4

About N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine

N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (PubChem CID 102896549) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
PubChem CID102896549
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCCC(C)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H27NO/c1-3-12(2)15-11-13-7-10-14(16-13)8-5-4-6-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyQRHKTUZWRGPOPX-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
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
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
4,4,4-trifluoro-N-methyl-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174783
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
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

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (CID 102896549) is N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is CCC(C)NCC1CCC2(CCCCC2)O1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The InChIKey is QRHKTUZWRGPOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-12(2)15-11-13-7-10-14(16-13)8-5-4-6-9-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 102896549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).