N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C13H24N4O — CID 115291370

IUPACN'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(CCOCC1CC1)CC(N)c1cnn(C)c1
InChIInChI=1S/C13H24N4O/c1-16(5-6-18-10-11-3-4-11)9-13(14)12-7-15-17(2)8-12/h7-8,11,13H,3-6,9-10,14H2,1-2H3
InChIKeyWVWUFBCPPQUPNX-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.78
Rot. Bonds8

About N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 115291370) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID115291370
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(CCOCC1CC1)CC(N)c1cnn(C)c1
InChIInChI=1S/C13H24N4O/c1-16(5-6-18-10-11-3-4-11)9-13(14)12-7-15-17(2)8-12/h7-8,11,13H,3-6,9-10,14H2,1-2H3
InChIKeyWVWUFBCPPQUPNX-UHFFFAOYSA-N
XLogP0.78
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 115291370) is N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CN(CCOCC1CC1)CC(N)c1cnn(C)c1.
What is the InChIKey of N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is WVWUFBCPPQUPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16(5-6-18-10-11-3-4-11)9-13(14)12-7-15-17(2)8-12/h7-8,11,13H,3-6,9-10,14H2,1-2H3.
What are the key properties of N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115291370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).