N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine

C16H34N2O — CID 62392347

IUPACN-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCN(CC(C)C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C16H34N2O/c1-6-18(11-14(2)3)13-16(12-17-15(4)5)7-9-19-10-8-16/h14-15,17H,6-13H2,1-5H3
InChIKeyNHMGAWLEGRKSIW-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds8

About N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine

N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 62392347) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID62392347
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCN(CC(C)C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C16H34N2O/c1-6-18(11-14(2)3)13-16(12-17-15(4)5)7-9-19-10-8-16/h14-15,17H,6-13H2,1-5H3
InChIKeyNHMGAWLEGRKSIW-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794
[3-[[ethyl(2-methylpropyl)amino]methyl]oxolan-3-yl]methanol
CID 62270740
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62392512
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
N-ethyl-2-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 55051768
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 63482009

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine (CID 62392347) is N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine is CCN(CC(C)C)CC1(CNC(C)C)CCOCC1.
What is the InChIKey of N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is NHMGAWLEGRKSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-18(11-14(2)3)13-16(12-17-15(4)5)7-9-19-10-8-16/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine?
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62392347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).