2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine

C12H26N2O2 — CID 61418836

IUPAC2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine
SMILESCOCCN(CCOC)CC(C)(N)C1CC1
InChIInChI=1S/C12H26N2O2/c1-12(13,11-4-5-11)10-14(6-8-15-2)7-9-16-3/h11H,4-10,13H2,1-3H3
InChIKeyMCWXATYTENGYNM-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.71
Rot. Bonds9

About 2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine

2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine (PubChem CID 61418836) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine
PubChem CID61418836
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine
SMILESCOCCN(CCOC)CC(C)(N)C1CC1
InChIInChI=1S/C12H26N2O2/c1-12(13,11-4-5-11)10-14(6-8-15-2)7-9-16-3/h11H,4-10,13H2,1-3H3
InChIKeyMCWXATYTENGYNM-UHFFFAOYSA-N
XLogP0.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine (CID 61418836) is 2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine is COCCN(CCOC)CC(C)(N)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine?
The InChIKey is MCWXATYTENGYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(13,11-4-5-11)10-14(6-8-15-2)7-9-16-3/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine?
2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine is sourced from PubChem (CID 61418836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).