1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine

C13H29N3 — CID 63912618

IUPAC1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CCN(C)C)C1CC1
InChIInChI=1S/C13H29N3/c1-5-8-14-13(12-6-7-12)11-16(4)10-9-15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyGQCVRDLTDLDGFA-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds9

About 1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine

1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 63912618) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine
PubChem CID63912618
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CCN(C)C)C1CC1
InChIInChI=1S/C13H29N3/c1-5-8-14-13(12-6-7-12)11-16(4)10-9-15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyGQCVRDLTDLDGFA-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine (CID 63912618) is 1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine is CCCNC(CN(C)CCN(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is GQCVRDLTDLDGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-8-14-13(12-6-7-12)11-16(4)10-9-15(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine?
1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 63912618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).