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

C15H30N2O — CID 55051580

IUPACN-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCCCN(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H30N2O/c1-3-4-5-9-17(2)12-15(8-10-18-13-15)11-16-14-6-7-14/h14,16H,3-13H2,1-2H3
InChIKeyLRRWPFKBUHHYMJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds9

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

N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 55051580) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID55051580
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCCCN(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H30N2O/c1-3-4-5-9-17(2)12-15(8-10-18-13-15)11-16-14-6-7-14/h14,16H,3-13H2,1-2H3
InChIKeyLRRWPFKBUHHYMJ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 55051580) is N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is CCCCCN(C)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is LRRWPFKBUHHYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-4-5-9-17(2)12-15(8-10-18-13-15)11-16-14-6-7-14/h14,16H,3-13H2,1-2H3.
What are the key properties of N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55051580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).