N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine

C16H32N2O — CID 63742234

IUPACN-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCCCCN(CC)CC1(CNC2CC2)CCCOC1
InChIInChI=1S/C16H32N2O/c1-3-5-10-18(4-2)13-16(9-6-11-19-14-16)12-17-15-7-8-15/h15,17H,3-14H2,1-2H3
InChIKeyUXRKEFOPMBULDD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds9

About N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine

N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine (PubChem CID 63742234) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
PubChem CID63742234
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCCCCN(CC)CC1(CNC2CC2)CCCOC1
InChIInChI=1S/C16H32N2O/c1-3-5-10-18(4-2)13-16(9-6-11-19-14-16)12-17-15-7-8-15/h15,17H,3-14H2,1-2H3
InChIKeyUXRKEFOPMBULDD-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(dipropylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740282
N-[[1-[[butyl(ethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 63483056
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
N-[[3-[(dipropylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62263014
[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol
CID 63746410
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741893
N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741534
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742120
N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63739766
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine (CID 63742234) is N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine is CCCCN(CC)CC1(CNC2CC2)CCCOC1.
What is the InChIKey of N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is UXRKEFOPMBULDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-10-18(4-2)13-16(9-6-11-19-14-16)12-17-15-7-8-15/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63742234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).