4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine

C11H20ClN3 — CID 106139974

IUPAC4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine
SMILESCC(C)(CCCl)CNCCn1cccn1
InChIInChI=1S/C11H20ClN3/c1-11(2,4-5-12)10-13-7-9-15-8-3-6-14-15/h3,6,8,13H,4-5,7,9-10H2,1-2H3
InChIKeyLQWJDGFCRCBSON-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.13
Rot. Bonds7

About 4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine

4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine (PubChem CID 106139974) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is 4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine.

Molecular Properties

Compound Name4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine
PubChem CID106139974
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine
SMILESCC(C)(CCCl)CNCCn1cccn1
InChIInChI=1S/C11H20ClN3/c1-11(2,4-5-12)10-13-7-9-15-8-3-6-14-15/h3,6,8,13H,4-5,7,9-10H2,1-2H3
InChIKeyLQWJDGFCRCBSON-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 115363430
5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107319937
6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine
CID 107845447
2-chloro-4,4-dimethyl-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107155778
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-pyrazol-1-ylethanamine
CID 114757545
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 115612293
3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 65030085
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
N-(2-pyrazol-1-ylethyl)but-2-yn-1-amine
CID 62312530
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-pyrazol-1-ylethanamine
CID 115363274

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine?
The IUPAC name of 4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine (CID 106139974) is 4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine.
What is the SMILES notation for 4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine?
The canonical SMILES for 4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine is CC(C)(CCCl)CNCCn1cccn1.
What is the InChIKey of 4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine?
The InChIKey is LQWJDGFCRCBSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-11(2,4-5-12)10-13-7-9-15-8-3-6-14-15/h3,6,8,13H,4-5,7,9-10H2,1-2H3.
What are the key properties of 4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine?
4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine has a molecular weight of 229.75 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine is sourced from PubChem (CID 106139974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).