4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine

C15H30N2O — CID 66254295

IUPAC4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CNCC1(C)CCCC1
InChIInChI=1S/C15H30N2O/c1-3-8-17-14-11-18-10-13(14)9-16-12-15(2)6-4-5-7-15/h13-14,16-17H,3-12H2,1-2H3
InChIKeyRZZORHQQTBMXJB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.17
Rot. Bonds7

About 4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine

4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine (PubChem CID 66254295) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine
PubChem CID66254295
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CNCC1(C)CCCC1
InChIInChI=1S/C15H30N2O/c1-3-8-17-14-11-18-10-13(14)9-16-12-15(2)6-4-5-7-15/h13-14,16-17H,3-12H2,1-2H3
InChIKeyRZZORHQQTBMXJB-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine (CID 66254295) is 4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine is CCCNC1COCC1CNCC1(C)CCCC1.
What is the InChIKey of 4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine?
The InChIKey is RZZORHQQTBMXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-8-17-14-11-18-10-13(14)9-16-12-15(2)6-4-5-7-15/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of 4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine?
4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66254295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).