N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine

C21H40N6 — CID 171834803

IUPACN,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine
SMILESCC(C)c1cnn(C(C)CN(C)C)c1.CNCC(C)n1cc(C(C)C)cn1
InChIInChI=1S/C11H21N3.C10H19N3/c1-9(2)11-6-12-14(8-11)10(3)7-13(4)5;1-8(2)10-6-12-13(7-10)9(3)5-11-4/h6,8-10H,7H2,1-5H3;6-9,11H,5H2,1-4H3
InChIKeyISBXLUWUNHDQQT-UHFFFAOYSA-N
MW376.59 g/mol
LogP3.92
Rot. Bonds8

About N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine

N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine (PubChem CID 171834803) has the molecular formula C21H40N6 and a molecular weight of 376.59 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine
PubChem CID171834803
Molecular FormulaC21H40N6
Molecular Weight376.59 g/mol
Exact Mass376.33
IUPAC NameN,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine
SMILESCC(C)c1cnn(C(C)CN(C)C)c1.CNCC(C)n1cc(C(C)C)cn1
InChIInChI=1S/C11H21N3.C10H19N3/c1-9(2)11-6-12-14(8-11)10(3)7-13(4)5;1-8(2)10-6-12-13(7-10)9(3)5-11-4/h6,8-10H,7H2,1-5H3;6-9,11H,5H2,1-4H3
InChIKeyISBXLUWUNHDQQT-UHFFFAOYSA-N
XLogP3.92
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine (CID 171834803) is N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine is CC(C)c1cnn(C(C)CN(C)C)c1.CNCC(C)n1cc(C(C)C)cn1.
What is the InChIKey of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine?
The InChIKey is ISBXLUWUNHDQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.C10H19N3/c1-9(2)11-6-12-14(8-11)10(3)7-13(4)5;1-8(2)10-6-12-13(7-10)9(3)5-11-4/h6,8-10H,7H2,1-5H3;6-9,11H,5H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine?
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine has a molecular weight of 376.59 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 171834803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).