N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

C17H34N4 — CID 62260529

IUPACN-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCC(CC)(CNC(C)(C)C)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C17H34N4/c1-8-17(9-2,13-18-16(3,4)5)14-20(6)11-15-10-19-21(7)12-15/h10,12,18H,8-9,11,13-14H2,1-7H3
InChIKeyTZXXWKHJXLYIQS-UHFFFAOYSA-N
MW294.49 g/mol
LogP3.05
Rot. Bonds8

About N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 62260529) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID62260529
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC NameN-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCC(CC)(CNC(C)(C)C)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C17H34N4/c1-8-17(9-2,13-18-16(3,4)5)14-20(6)11-15-10-19-21(7)12-15/h10,12,18H,8-9,11,13-14H2,1-7H3
InChIKeyTZXXWKHJXLYIQS-UHFFFAOYSA-N
XLogP3.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine with MolForge

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Related Compounds

N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62258803
3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 66452397
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
CID 63193910
N-ethyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208787
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62557013
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 62260529) is N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is CCC(CC)(CNC(C)(C)C)CN(C)Cc1cnn(C)c1.
What is the InChIKey of N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is TZXXWKHJXLYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-8-17(9-2,13-18-16(3,4)5)14-20(6)11-15-10-19-21(7)12-15/h10,12,18H,8-9,11,13-14H2,1-7H3.
What are the key properties of N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 294.49 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62260529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).