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

C14H26N2O — CID 63741534

IUPACN-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCN(CC1(CNC2CC2)CCCOC1)C1CC1
InChIInChI=1S/C14H26N2O/c1-16(13-5-6-13)10-14(7-2-8-17-11-14)9-15-12-3-4-12/h12-13,15H,2-11H2,1H3
InChIKeyKLZVYPWUBIXYFG-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds6

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

N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine (PubChem CID 63741534) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
PubChem CID63741534
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCN(CC1(CNC2CC2)CCCOC1)C1CC1
InChIInChI=1S/C14H26N2O/c1-16(13-5-6-13)10-14(7-2-8-17-11-14)9-15-12-3-4-12/h12-13,15H,2-11H2,1H3
InChIKeyKLZVYPWUBIXYFG-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63739426
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 63739433
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 63739434
N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63739608
N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 63739609
N-[[3-(propylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 63739610
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 63739787
N-[[3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740316
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63740491
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 63741377
N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741553
N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 63741554

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine (CID 63741534) is N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine is CN(CC1(CNC2CC2)CCCOC1)C1CC1.
What is the InChIKey of N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is KLZVYPWUBIXYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-16(13-5-6-13)10-14(7-2-8-17-11-14)9-15-12-3-4-12/h12-13,15H,2-11H2,1H3.
What are the key properties of N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63741534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).