N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine

C14H28N4 — CID 114075541

IUPACN-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1cnn(C(C)C)c1
InChIInChI=1S/C14H28N4/c1-7-14(4,5)17(6)13(8-15)12-9-16-18(10-12)11(2)3/h9-11,13H,7-8,15H2,1-6H3
InChIKeyJZHHSDLZGWRZQI-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine

N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 114075541) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID114075541
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1cnn(C(C)C)c1
InChIInChI=1S/C14H28N4/c1-7-14(4,5)17(6)13(8-15)12-9-16-18(10-12)11(2)3/h9-11,13H,7-8,15H2,1-6H3
InChIKeyJZHHSDLZGWRZQI-UHFFFAOYSA-N
XLogP2.58
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine (CID 114075541) is N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine is CCC(C)(C)N(C)C(CN)c1cnn(C(C)C)c1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is JZHHSDLZGWRZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-14(4,5)17(6)13(8-15)12-9-16-18(10-12)11(2)3/h9-11,13H,7-8,15H2,1-6H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114075541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).