N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

C15H28N2O — CID 55256345

IUPACN-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1CC1CN(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H28N2O/c1-12-7-13(12)8-17(2)10-15(5-6-18-11-15)9-16-14-3-4-14/h12-14,16H,3-11H2,1-2H3
InChIKeySNKYYFCIQGUQFV-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.73
Rot. Bonds7

About N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 55256345) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID55256345
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1CC1CN(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H28N2O/c1-12-7-13(12)8-17(2)10-15(5-6-18-11-15)9-16-14-3-4-14/h12-14,16H,3-11H2,1-2H3
InChIKeySNKYYFCIQGUQFV-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 55256345) is N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is CC1CC1CN(C)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is SNKYYFCIQGUQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-7-13(12)8-17(2)10-15(5-6-18-11-15)9-16-14-3-4-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 252.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55256345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).