N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride

C11H20ClN3 — CID 115680433

IUPACN-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1ccc(CNCC2(C)CCC2)n1
InChIInChI=1S/C11H19N3.ClH/c1-11(5-3-6-11)9-12-8-10-4-7-14(2)13-10;/h4,7,12H,3,5-6,8-9H2,1-2H3;1H
InChIKeyIHDSENWSXCLNOQ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.12
Rot. Bonds4

About N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride

N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 115680433) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID115680433
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1ccc(CNCC2(C)CCC2)n1
InChIInChI=1S/C11H19N3.ClH/c1-11(5-3-6-11)9-12-8-10-4-7-14(2)13-10;/h4,7,12H,3,5-6,8-9H2,1-2H3;1H
InChIKeyIHDSENWSXCLNOQ-UHFFFAOYSA-N
XLogP2.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
2-methyl-3-[[(1-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268345
[1-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 82866192
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 82869007
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride (CID 115680433) is N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride is Cl.Cn1ccc(CNCC2(C)CCC2)n1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is IHDSENWSXCLNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.ClH/c1-11(5-3-6-11)9-12-8-10-4-7-14(2)13-10;/h4,7,12H,3,5-6,8-9H2,1-2H3;1H.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride?
N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 115680433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).