N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C15H30N4 — CID 79661679

IUPACN'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cc(CC)nn1C)CC(C)(C)CN
InChIInChI=1S/C15H30N4/c1-6-8-19(12-15(3,4)11-16)10-14-9-13(7-2)17-18(14)5/h9H,6-8,10-12,16H2,1-5H3
InChIKeyREIIHWNVIVFMIP-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.18
Rot. Bonds8

About N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79661679) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79661679
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cc(CC)nn1C)CC(C)(C)CN
InChIInChI=1S/C15H30N4/c1-6-8-19(12-15(3,4)11-16)10-14-9-13(7-2)17-18(14)5/h9H,6-8,10-12,16H2,1-5H3
InChIKeyREIIHWNVIVFMIP-UHFFFAOYSA-N
XLogP2.18
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661919
N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494848
2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine
CID 79660957
1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol
CID 79389742
N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661433
N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667468
2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 79661265
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258433
N-(2-bromoethyl)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487497
2,2-dimethyl-N'-propyl-N'-[(4-trimethylsilylphenyl)methyl]propane-1,3-diamine
CID 103438203
N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662014
N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661676

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79661679) is N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(Cc1cc(CC)nn1C)CC(C)(C)CN.
What is the InChIKey of N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is REIIHWNVIVFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-8-19(12-15(3,4)11-16)10-14-9-13(7-2)17-18(14)5/h9H,6-8,10-12,16H2,1-5H3.
What are the key properties of N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79661679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).