N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

C15H30N4O — CID 103571807

IUPACN-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(CCOC)C(C)CC)cn1
InChIInChI=1S/C15H30N4O/c1-5-7-18-12-14(11-17-18)15(10-16)19(8-9-20-4)13(3)6-2/h11-13,15H,5-10,16H2,1-4H3
InChIKeyOZXPGAOMVMJYQN-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds10

About N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 103571807) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID103571807
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(CCOC)C(C)CC)cn1
InChIInChI=1S/C15H30N4O/c1-5-7-18-12-14(11-17-18)15(10-16)19(8-9-20-4)13(3)6-2/h11-13,15H,5-10,16H2,1-4H3
InChIKeyOZXPGAOMVMJYQN-UHFFFAOYSA-N
XLogP2.04
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (CID 103571807) is N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is CCCn1cc(C(CN)N(CCOC)C(C)CC)cn1.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is OZXPGAOMVMJYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-5-7-18-12-14(11-17-18)15(10-16)19(8-9-20-4)13(3)6-2/h11-13,15H,5-10,16H2,1-4H3.
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103571807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).