N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine

C9H18N4 — CID 78923359

IUPACN',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1ccn(C)n1
InChIInChI=1S/C9H18N4/c1-12(2)7-5-10-8-9-4-6-13(3)11-9/h4,6,10H,5,7-8H2,1-3H3
InChIKeyDKUXXWLYRLCTAO-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.07
Rot. Bonds5

About N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 78923359) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID78923359
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1ccn(C)n1
InChIInChI=1S/C9H18N4/c1-12(2)7-5-10-8-9-4-6-13(3)11-9/h4,6,10H,5,7-8H2,1-3H3
InChIKeyDKUXXWLYRLCTAO-UHFFFAOYSA-N
XLogP0.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 106104819
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 106844741
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649017
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 112689875

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 78923359) is N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine is CN(C)CCNCc1ccn(C)n1.
What is the InChIKey of N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is DKUXXWLYRLCTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-12(2)7-5-10-8-9-4-6-13(3)11-9/h4,6,10H,5,7-8H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 78923359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).