N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine

C14H28N4 — CID 64771973

IUPACN,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCC(C)n1ccc(CNCC(C)(C)CN(C)C)n1
InChIInChI=1S/C14H28N4/c1-12(2)18-8-7-13(16-18)9-15-10-14(3,4)11-17(5)6/h7-8,12,15H,9-11H2,1-6H3
InChIKeyJCEQDGOMTUNEFW-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.14
Rot. Bonds7

About N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine (PubChem CID 64771973) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine
PubChem CID64771973
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCC(C)n1ccc(CNCC(C)(C)CN(C)C)n1
InChIInChI=1S/C14H28N4/c1-12(2)18-8-7-13(16-18)9-15-10-14(3,4)11-17(5)6/h7-8,12,15H,9-11H2,1-6H3
InChIKeyJCEQDGOMTUNEFW-UHFFFAOYSA-N
XLogP2.14
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine (CID 64771973) is N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine is CC(C)n1ccc(CNCC(C)(C)CN(C)C)n1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is JCEQDGOMTUNEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-12(2)18-8-7-13(16-18)9-15-10-14(3,4)11-17(5)6/h7-8,12,15H,9-11H2,1-6H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 64771973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).