2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine

C14H23N3 — CID 103001567

IUPAC2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
SMILESCn1cc(CCNCC(C2CC2)C2CC2)cn1
InChIInChI=1S/C14H23N3/c1-17-10-11(8-16-17)6-7-15-9-14(12-2-3-12)13-4-5-13/h8,10,12-15H,2-7,9H2,1H3
InChIKeyMOKFKMWNDFCPRQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.99
Rot. Bonds7

About 2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine

2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 103001567) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
PubChem CID103001567
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
SMILESCn1cc(CCNCC(C2CC2)C2CC2)cn1
InChIInChI=1S/C14H23N3/c1-17-10-11(8-16-17)6-7-15-9-14(12-2-3-12)13-4-5-13/h8,10,12-15H,2-7,9H2,1H3
InChIKeyMOKFKMWNDFCPRQ-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.99
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

3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 103002168
2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 103014821
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80688588
4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106133809
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80682342

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine (CID 103001567) is 2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine is Cn1cc(CCNCC(C2CC2)C2CC2)cn1.
What is the InChIKey of 2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is MOKFKMWNDFCPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17-10-11(8-16-17)6-7-15-9-14(12-2-3-12)13-4-5-13/h8,10,12-15H,2-7,9H2,1H3.
What are the key properties of 2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 103001567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).