N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine

C14H28N4 — CID 79647393

IUPACN',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine
SMILESCc1nn(C)c(C)c1C(C)N(C)CC(C)(C)CN
InChIInChI=1S/C14H28N4/c1-10-13(12(3)18(7)16-10)11(2)17(6)9-14(4,5)8-15/h11H,8-9,15H2,1-7H3
InChIKeyCAKHDGJMBJCGTI-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.01
Rot. Bonds5

About N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine

N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine (PubChem CID 79647393) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine
PubChem CID79647393
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine
SMILESCc1nn(C)c(C)c1C(C)N(C)CC(C)(C)CN
InChIInChI=1S/C14H28N4/c1-10-13(12(3)18(7)16-10)11(2)17(6)9-14(4,5)8-15/h11H,8-9,15H2,1-7H3
InChIKeyCAKHDGJMBJCGTI-UHFFFAOYSA-N
XLogP2.01
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 79645097
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 119654378
N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 106602715
N-benzyl-5-[[methyl-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
CID 99955181
N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652154
N'-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79651963
3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 83930058
(1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 95121409
N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 120842917
2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 103460633
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
2-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-4-methylphenol
CID 79645093

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine (CID 79647393) is N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine is Cc1nn(C)c(C)c1C(C)N(C)CC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine?
The InChIKey is CAKHDGJMBJCGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-10-13(12(3)18(7)16-10)11(2)17(6)9-14(4,5)8-15/h11H,8-9,15H2,1-7H3.
What are the key properties of N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine?
N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 79647393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).