N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine

C15H27NO3 — CID 594022

IUPACN,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine
SMILESCC1(C)COC1N(C1OCC1(C)C)C1OCC1(C)C
InChIInChI=1S/C15H27NO3/c1-13(2)7-17-10(13)16(11-14(3,4)8-18-11)12-15(5,6)9-19-12/h10-12H,7-9H2,1-6H3
InChIKeyKCGSBYIAVMFXHS-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.44
Rot. Bonds3

About N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine

N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine (PubChem CID 594022) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine.

Molecular Properties

Compound NameN,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine
PubChem CID594022
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine
SMILESCC1(C)COC1N(C1OCC1(C)C)C1OCC1(C)C
InChIInChI=1S/C15H27NO3/c1-13(2)7-17-10(13)16(11-14(3,4)8-18-11)12-15(5,6)9-19-12/h10-12H,7-9H2,1-6H3
InChIKeyKCGSBYIAVMFXHS-UHFFFAOYSA-N
XLogP2.44
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Oxa-6-azaspiro[3.3]heptan-6-yl)propyl hypofluorite
CID 154661222
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CID 13778350
N-ethyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 20309122
6-(2,2-Dimethylpropyl)-2-oxa-6-azaspiro[3.3]heptane
CID 58266684
6-Tert-butyl-2-oxa-6-azaspiro[3.3]heptane
CID 58441443
N,N-diethylethanamine;oxetane
CID 66862478
6-Ethyl-2-oxa-6-azaspiro[3.3]heptane
CID 68029725
6-Propyl-2-oxa-6-azaspiro[3.3]heptane
CID 68346908
Bis[(3-methyloxetan-3-YL)methyl]amine
CID 80131018
6-[(2S)-butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 89806359
6-(2-Methoxyethyl)-2-oxa-6-azaspiro[3.3]heptane
CID 89851152
N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine
CID 91362488

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine?
The IUPAC name of N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine (CID 594022) is N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine.
What is the SMILES notation for N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine?
The canonical SMILES for N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine is CC1(C)COC1N(C1OCC1(C)C)C1OCC1(C)C.
What is the InChIKey of N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine?
The InChIKey is KCGSBYIAVMFXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-13(2)7-17-10(13)16(11-14(3,4)8-18-11)12-15(5,6)9-19-12/h10-12H,7-9H2,1-6H3.
What are the key properties of N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine?
N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3,3-dimethyloxetan-2-yl)-3,3-dimethyloxetan-2-amine is sourced from PubChem (CID 594022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).