1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine

C16H32N2O — CID 63912366

IUPAC1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CCOC)C(C)C1CC1)C1CC1
InChIInChI=1S/C16H32N2O/c1-4-9-17-16(15-7-8-15)12-18(10-11-19-3)13(2)14-5-6-14/h13-17H,4-12H2,1-3H3
InChIKeyGUBYSGIQSLOPHM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds11

About 1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine

1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine (PubChem CID 63912366) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine
PubChem CID63912366
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CCOC)C(C)C1CC1)C1CC1
InChIInChI=1S/C16H32N2O/c1-4-9-17-16(15-7-8-15)12-18(10-11-19-3)13(2)14-5-6-14/h13-17H,4-12H2,1-3H3
InChIKeyGUBYSGIQSLOPHM-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine (CID 63912366) is 1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine is CCCNC(CN(CCOC)C(C)C1CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine?
The InChIKey is GUBYSGIQSLOPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-9-17-16(15-7-8-15)12-18(10-11-19-3)13(2)14-5-6-14/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine?
1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 63912366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).