butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide

C14H32N2O2 — CID 177320311

IUPACbutane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide
SMILESCC.CCCC.CCNCC1(CNC=O)COC1
InChIInChI=1S/C8H16N2O2.C4H10.C2H6/c1-2-9-3-8(4-10-7-11)5-12-6-8;1-3-4-2;1-2/h7,9H,2-6H2,1H3,(H,10,11);3-4H2,1-2H3;1-2H3
InChIKeyRXAPGVRZMOGRDZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.19
Rot. Bonds7

About butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide

butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide (PubChem CID 177320311) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide.

Molecular Properties

Compound Namebutane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide
PubChem CID177320311
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Namebutane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide
SMILESCC.CCCC.CCNCC1(CNC=O)COC1
InChIInChI=1S/C8H16N2O2.C4H10.C2H6/c1-2-9-3-8(4-10-7-11)5-12-6-8;1-3-4-2;1-2/h7,9H,2-6H2,1H3,(H,10,11);3-4H2,1-2H3;1-2H3
InChIKeyRXAPGVRZMOGRDZ-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine
CID 169266137
N-[(3-decyloxolan-3-yl)methyl]ethanamine
CID 63502132
3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide
CID 177193420
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine
CID 116870490
N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine
CID 116870511
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine
CID 144983565
N-[[1-(hydroxymethyl)cyclopropyl]methyl]formamide
CID 115455292
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62718836
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 106729992
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759

Frequently Asked Questions

What is the IUPAC name of butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide?
The IUPAC name of butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide (CID 177320311) is butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide.
What is the SMILES notation for butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide?
The canonical SMILES for butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide is CC.CCCC.CCNCC1(CNC=O)COC1.
What is the InChIKey of butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide?
The InChIKey is RXAPGVRZMOGRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C4H10.C2H6/c1-2-9-3-8(4-10-7-11)5-12-6-8;1-3-4-2;1-2/h7,9H,2-6H2,1H3,(H,10,11);3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide?
butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide has a molecular weight of 260.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide is sourced from PubChem (CID 177320311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).