N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine

C15H30N4 — CID 43758950

IUPACN,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCC(C)c1nn(C)cc1CNCC(C)(C)CN(C)C
InChIInChI=1S/C15H30N4/c1-12(2)14-13(9-19(7)17-14)8-16-10-15(3,4)11-18(5)6/h9,12,16H,8,10-11H2,1-7H3
InChIKeyMKSDYJAINYTYRQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.22
Rot. Bonds7

About N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 43758950) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID43758950
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCC(C)c1nn(C)cc1CNCC(C)(C)CN(C)C
InChIInChI=1S/C15H30N4/c1-12(2)14-13(9-19(7)17-14)8-16-10-15(3,4)11-18(5)6/h9,12,16H,8,10-11H2,1-7H3
InChIKeyMKSDYJAINYTYRQ-UHFFFAOYSA-N
XLogP2.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine with MolForge

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Related Compounds

4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
CID 75441181
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
2,2-dimethyl-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanenitrile
CID 104587141
2-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702126
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834
2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine
CID 43771693
N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64771973
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 43766465
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 43758950) is N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine is CC(C)c1nn(C)cc1CNCC(C)(C)CN(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is MKSDYJAINYTYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-12(2)14-13(9-19(7)17-14)8-16-10-15(3,4)11-18(5)6/h9,12,16H,8,10-11H2,1-7H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.22, 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-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 43758950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).