N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine

C11H22N4 — CID 104869896

IUPACN,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCn1cc(CN(C)CCNC)cn1
InChIInChI=1S/C11H22N4/c1-4-6-15-10-11(8-13-15)9-14(3)7-5-12-2/h8,10,12H,4-7,9H2,1-3H3
InChIKeyBMZOOXOXJQRECM-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.94
Rot. Bonds7

About N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 104869896) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID104869896
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCn1cc(CN(C)CCNC)cn1
InChIInChI=1S/C11H22N4/c1-4-6-15-10-11(8-13-15)9-14(3)7-5-12-2/h8,10,12H,4-7,9H2,1-3H3
InChIKeyBMZOOXOXJQRECM-UHFFFAOYSA-N
XLogP0.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
(1-propylpyrazol-4-yl)methanethiol
CID 103573669
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 79584745
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347516
N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62557013
4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116555498
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 104869896) is N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine is CCCn1cc(CN(C)CCNC)cn1.
What is the InChIKey of N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is BMZOOXOXJQRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-6-15-10-11(8-13-15)9-14(3)7-5-12-2/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.94, 7 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-propylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104869896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).