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

C12H26N2O2 — CID 61418403

IUPACN-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCNC1CC1)CCOC
InChIInChI=1S/C12H26N2O2/c1-15-10-8-14(9-11-16-2)7-3-6-13-12-4-5-12/h12-13H,3-11H2,1-2H3
InChIKeyWAQSKQOKWXZBAJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds11

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

N-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine (PubChem CID 61418403) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
PubChem CID61418403
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCNC1CC1)CCOC
InChIInChI=1S/C12H26N2O2/c1-15-10-8-14(9-11-16-2)7-3-6-13-12-4-5-12/h12-13H,3-11H2,1-2H3
InChIKeyWAQSKQOKWXZBAJ-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
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',N'-bis(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine (CID 61418403) is N-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine is COCCN(CCCNC1CC1)CCOC.
What is the InChIKey of N-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is WAQSKQOKWXZBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-15-10-8-14(9-11-16-2)7-3-6-13-12-4-5-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
N-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',N'-bis(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 61418403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).