N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine

C13H28N2O2 — CID 55070524

IUPACN-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
SMILESCOCCN(CCCNC1CC1)C(C)COC
InChIInChI=1S/C13H28N2O2/c1-12(11-17-3)15(9-10-16-2)8-4-7-14-13-5-6-13/h12-14H,4-11H2,1-3H3
InChIKeyTXCONADSSXFTMS-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds11

About N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine

N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine (PubChem CID 55070524) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
PubChem CID55070524
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
SMILESCOCCN(CCCNC1CC1)C(C)COC
InChIInChI=1S/C13H28N2O2/c1-12(11-17-3)15(9-10-16-2)8-4-7-14-13-5-6-13/h12-14H,4-11H2,1-3H3
InChIKeyTXCONADSSXFTMS-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine (CID 55070524) is N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine is COCCN(CCCNC1CC1)C(C)COC.
What is the InChIKey of N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The InChIKey is TXCONADSSXFTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(11-17-3)15(9-10-16-2)8-4-7-14-13-5-6-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 55070524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).