N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine

C14H27N3 — CID 64715540

IUPACN-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine
SMILESCCCn1nccc1C(C)(C)CC(C)NCC
InChIInChI=1S/C14H27N3/c1-6-10-17-13(8-9-16-17)14(4,5)11-12(3)15-7-2/h8-9,12,15H,6-7,10-11H2,1-5H3
InChIKeyYFFJAKXNFRFHPO-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.96
Rot. Bonds7

About N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine

N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine (PubChem CID 64715540) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine
PubChem CID64715540
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine
SMILESCCCn1nccc1C(C)(C)CC(C)NCC
InChIInChI=1S/C14H27N3/c1-6-10-17-13(8-9-16-17)14(4,5)11-12(3)15-7-2/h8-9,12,15H,6-7,10-11H2,1-5H3
InChIKeyYFFJAKXNFRFHPO-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine (CID 64715540) is N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine is CCCn1nccc1C(C)(C)CC(C)NCC.
What is the InChIKey of N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine?
The InChIKey is YFFJAKXNFRFHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-10-17-13(8-9-16-17)14(4,5)11-12(3)15-7-2/h8-9,12,15H,6-7,10-11H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine?
N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 64715540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).