N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine

C14H30N2O — CID 55051807

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1(CNCC)CCOC1
InChIInChI=1S/C14H30N2O/c1-4-8-16(9-5-2)12-14(11-15-6-3)7-10-17-13-14/h15H,4-13H2,1-3H3
InChIKeyPBDATEHSOXLTCM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds9

About N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine (PubChem CID 55051807) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine
PubChem CID55051807
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1(CNCC)CCOC1
InChIInChI=1S/C14H30N2O/c1-4-8-16(9-5-2)12-14(11-15-6-3)7-10-17-13-14/h15H,4-13H2,1-3H3
InChIKeyPBDATEHSOXLTCM-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine (CID 55051807) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine is CCCN(CCC)CC1(CNCC)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is PBDATEHSOXLTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-8-16(9-5-2)12-14(11-15-6-3)7-10-17-13-14/h15H,4-13H2,1-3H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 55051807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).