N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine

C12H21N3 — CID 106813065

IUPACN-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CCNCC2(C)CCC2)cn1
InChIInChI=1S/C12H21N3/c1-12(5-3-6-12)10-13-7-4-11-8-14-15(2)9-11/h8-9,13H,3-7,10H2,1-2H3
InChIKeyGNDUACKSMVANSR-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds5

About N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine

N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 106813065) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID106813065
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CCNCC2(C)CCC2)cn1
InChIInChI=1S/C12H21N3/c1-12(5-3-6-12)10-13-7-4-11-8-14-15(2)9-11/h8-9,13H,3-7,10H2,1-2H3
InChIKeyGNDUACKSMVANSR-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
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

[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 103001877
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103001679
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014465
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
1-methyl-N-[(1-methylcyclopentyl)methyl]pyrazol-4-amine
CID 130578038
N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
CID 80683125
N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine
CID 63823125
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol
CID 107852417

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine (CID 106813065) is N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(CCNCC2(C)CCC2)cn1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is GNDUACKSMVANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(5-3-6-12)10-13-7-4-11-8-14-15(2)9-11/h8-9,13H,3-7,10H2,1-2H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 106813065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).