N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine

C13H25N3 — CID 65195392

IUPACN-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C13H25N3/c1-6-14-12(7-8-13(2,3)4)11-9-15-16(5)10-11/h9-10,12,14H,6-8H2,1-5H3
InChIKeyQACIFJWYXQQEMN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.90
Rot. Bonds5

About N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine

N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine (PubChem CID 65195392) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
PubChem CID65195392
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C13H25N3/c1-6-14-12(7-8-13(2,3)4)11-9-15-16(5)10-11/h9-10,12,14H,6-8H2,1-5H3
InChIKeyQACIFJWYXQQEMN-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine
CID 65195286
N-ethyl-1-(1-methylpyrazol-4-yl)pent-3-yn-1-amine
CID 65200186
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 115808764
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine
CID 65195228
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 115727211
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine
CID 65195339
1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 55186414

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine (CID 65195392) is N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine is CCNC(CCC(C)(C)C)c1cnn(C)c1.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine?
The InChIKey is QACIFJWYXQQEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-14-12(7-8-13(2,3)4)11-9-15-16(5)10-11/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine?
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine is sourced from PubChem (CID 65195392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).