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

C17H32N2O — CID 62261084

IUPACN-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCN(CC1CCCCC1)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C17H32N2O/c1-19(11-15-5-3-2-4-6-15)13-17(9-10-20-14-17)12-18-16-7-8-16/h15-16,18H,2-14H2,1H3
InChIKeyFOOXCXNCCBKEHL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds7

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

N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62261084) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62261084
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCN(CC1CCCCC1)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C17H32N2O/c1-19(11-15-5-3-2-4-6-15)13-17(9-10-20-14-17)12-18-16-7-8-16/h15-16,18H,2-14H2,1H3
InChIKeyFOOXCXNCCBKEHL-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62261084) is N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is CN(CC1CCCCC1)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is FOOXCXNCCBKEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-19(11-15-5-3-2-4-6-15)13-17(9-10-20-14-17)12-18-16-7-8-16/h15-16,18H,2-14H2,1H3.
What are the key properties of N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 280.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[cyclohexylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62261084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).