N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine

C11H22N4 — CID 62565065

IUPACN',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine
SMILESCc1cnn(CCNCCCN(C)C)c1
InChIInChI=1S/C11H22N4/c1-11-9-13-15(10-11)8-6-12-5-4-7-14(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyNBAFVCBGVOVUJS-UHFFFAOYSA-N
MW210.33 g/mol
LogP0.73
Rot. Bonds7

About N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine (PubChem CID 62565065) has the molecular formula C11H22N4 and a molecular weight of 210.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine
PubChem CID62565065
Molecular FormulaC11H22N4
Molecular Weight210.33 g/mol
Exact Mass210.18
IUPAC NameN',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine
SMILESCc1cnn(CCNCCCN(C)C)c1
InChIInChI=1S/C11H22N4/c1-11-9-13-15(10-11)8-6-12-5-4-7-14(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyNBAFVCBGVOVUJS-UHFFFAOYSA-N
XLogP0.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol
CID 103737929
N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide
CID 56780256
3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 62565456
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 114130438
N-(2-butoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62566750
N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine
CID 114279056
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
(Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine
CID 106438289
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine
CID 104627896
1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one
CID 56780234
N-[(4-chlorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649533

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine (CID 62565065) is N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine is Cc1cnn(CCNCCCN(C)C)c1.
What is the InChIKey of N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine?
The InChIKey is NBAFVCBGVOVUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-11-9-13-15(10-11)8-6-12-5-4-7-14(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine has a molecular weight of 210.33 g/mol, XLogP of 0.73, 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-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 62565065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).