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

C16H34N2O — CID 55241079

IUPACN-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CC)CC1(CNC(C)C)CCCOC1
InChIInChI=1S/C16H34N2O/c1-5-7-10-18(6-2)13-16(12-17-15(3)4)9-8-11-19-14-16/h15,17H,5-14H2,1-4H3
InChIKeyZQFNFMNIDBSSKE-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds9

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

N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine (PubChem CID 55241079) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
PubChem CID55241079
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CC)CC1(CNC(C)C)CCCOC1
InChIInChI=1S/C16H34N2O/c1-5-7-10-18(6-2)13-16(12-17-15(3)4)9-8-11-19-14-16/h15,17H,5-14H2,1-4H3
InChIKeyZQFNFMNIDBSSKE-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine (CID 55241079) is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine is CCCCN(CC)CC1(CNC(C)C)CCCOC1.
What is the InChIKey of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine?
The InChIKey is ZQFNFMNIDBSSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-7-10-18(6-2)13-16(12-17-15(3)4)9-8-11-19-14-16/h15,17H,5-14H2,1-4H3.
What are the key properties of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine?
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 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]oxan-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 55241079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).