N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine

C16H32N2O — CID 63741893

IUPACN-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCCCN(CC1(CNC2CC2)CCCOC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-4-9-18(14(2)3)12-16(8-5-10-19-13-16)11-17-15-6-7-15/h14-15,17H,4-13H2,1-3H3
InChIKeyXMLBIHXOOZLZOZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds8

About N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine

N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine (PubChem CID 63741893) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
PubChem CID63741893
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCCCN(CC1(CNC2CC2)CCCOC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-4-9-18(14(2)3)12-16(8-5-10-19-13-16)11-17-15-6-7-15/h14-15,17H,4-13H2,1-3H3
InChIKeyXMLBIHXOOZLZOZ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[[propan-2-yl(propyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62263309
N-[[3-[(dipropylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740282
N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742234
N-[[3-[(dipropylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62263014
N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741534
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742120
N-[[3-[[bis(2-methylpropyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62257834
N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 63483998

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine (CID 63741893) is N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine is CCCN(CC1(CNC2CC2)CCCOC1)C(C)C.
What is the InChIKey of N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is XMLBIHXOOZLZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-9-18(14(2)3)12-16(8-5-10-19-13-16)11-17-15-6-7-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63741893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).