N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine

C16H34N2O — CID 63739766

IUPACN-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCCN(CC)CC1(CNCC(C)C)CCCOC1
InChIInChI=1S/C16H34N2O/c1-5-9-18(6-2)13-16(8-7-10-19-14-16)12-17-11-15(3)4/h15,17H,5-14H2,1-4H3
InChIKeyZOIFJHHCGKCSSU-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds9

About N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63739766) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID63739766
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCCN(CC)CC1(CNCC(C)C)CCCOC1
InChIInChI=1S/C16H34N2O/c1-5-9-18(6-2)13-16(8-7-10-19-14-16)12-17-11-15(3)4/h15,17H,5-14H2,1-4H3
InChIKeyZOIFJHHCGKCSSU-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63741895
2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 104554673
[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol
CID 63747610
2-methyl-N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63865057
1-[ethyl-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]amino]-2-methylpropan-2-ol
CID 79379260
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63740667
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine
CID 63740150
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
N-[[3-[(dipropylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740282
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742234

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine (CID 63739766) is N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine is CCCN(CC)CC1(CNCC(C)C)CCCOC1.
What is the InChIKey of N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZOIFJHHCGKCSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-9-18(6-2)13-16(8-7-10-19-14-16)12-17-11-15(3)4/h15,17H,5-14H2,1-4H3.
What are the key properties of N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63739766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).