N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C13H29N3O — CID 62436892

IUPACN'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1CCC(CN)O1
InChIInChI=1S/C13H29N3O/c1-4-7-16(9-8-15(2)3)11-13-6-5-12(10-14)17-13/h12-13H,4-11,14H2,1-3H3
InChIKeyCSXQDGQEOQTKKV-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds8

About N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62436892) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62436892
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1CCC(CN)O1
InChIInChI=1S/C13H29N3O/c1-4-7-16(9-8-15(2)3)11-13-6-5-12(10-14)17-13/h12-13H,4-11,14H2,1-3H3
InChIKeyCSXQDGQEOQTKKV-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62436892) is N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)CC1CCC(CN)O1.
What is the InChIKey of N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is CSXQDGQEOQTKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-7-16(9-8-15(2)3)11-13-6-5-12(10-14)17-13/h12-13H,4-11,14H2,1-3H3.
What are the key properties of N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62436892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).