N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine

C15H32N2O — CID 62263966

IUPACN-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CC)CC1(CNC(C)C)CCOC1
InChIInChI=1S/C15H32N2O/c1-5-7-9-17(6-2)12-15(8-10-18-13-15)11-16-14(3)4/h14,16H,5-13H2,1-4H3
InChIKeyQMAPTAVYGTYCOX-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

About N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine

N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine (PubChem CID 62263966) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
PubChem CID62263966
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CC)CC1(CNC(C)C)CCOC1
InChIInChI=1S/C15H32N2O/c1-5-7-9-17(6-2)12-15(8-10-18-13-15)11-16-14(3)4/h14,16H,5-13H2,1-4H3
InChIKeyQMAPTAVYGTYCOX-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine with MolForge

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Related Compounds

N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742234
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol
CID 63746410
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62392512
N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
CID 63482182
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392347
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine (CID 62263966) is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine is CCCCN(CC)CC1(CNC(C)C)CCOC1.
What is the InChIKey of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine?
The InChIKey is QMAPTAVYGTYCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-7-9-17(6-2)12-15(8-10-18-13-15)11-16-14(3)4/h14,16H,5-13H2,1-4H3.
What are the key properties of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine?
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 62263966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).