2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

C11H21N3 — CID 104626821

IUPAC2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCn1ccc(CCNCC(C)(C)C)n1
InChIInChI=1S/C11H21N3/c1-11(2,3)9-12-7-5-10-6-8-14(4)13-10/h6,8,12H,5,7,9H2,1-4H3
InChIKeyFPNVVPVJVCFKHJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.60
Rot. Bonds4

About 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 104626821) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID104626821
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCn1ccc(CCNCC(C)(C)C)n1
InChIInChI=1S/C11H21N3/c1-11(2,3)9-12-7-5-10-6-8-14(4)13-10/h6,8,12H,5,7,9H2,1-4H3
InChIKeyFPNVVPVJVCFKHJ-UHFFFAOYSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid
CID 106104661
N-[2-(1-methylpyrazol-3-yl)ethyl]but-3-en-1-amine
CID 106104517
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
CID 106104362
N',N'-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 106104819
(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]but-2-en-1-amine
CID 106104491
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82878363
2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 106104206
N-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931
(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine
CID 113434551
4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106104646
(2S)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propane-1,2-diol
CID 106104702

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 104626821) is 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine is Cn1ccc(CCNCC(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is FPNVVPVJVCFKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,3)9-12-7-5-10-6-8-14(4)13-10/h6,8,12H,5,7,9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104626821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).