1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

C14H27N5 — CID 82876253

IUPAC1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C1CN(C)CCCN1C
InChIInChI=1S/C14H27N5/c1-15-13(10-12-6-9-19(4)16-12)14-11-17(2)7-5-8-18(14)3/h6,9,13-15H,5,7-8,10-11H2,1-4H3
InChIKeyAAWYAGZXZIEWRW-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.19
Rot. Bonds4

About 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82876253) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID82876253
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C1CN(C)CCCN1C
InChIInChI=1S/C14H27N5/c1-15-13(10-12-6-9-19(4)16-12)14-11-17(2)7-5-8-18(14)3/h6,9,13-15H,5,7-8,10-11H2,1-4H3
InChIKeyAAWYAGZXZIEWRW-UHFFFAOYSA-N
XLogP0.19
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-methylmorpholin-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877393
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025251
2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 105406851
1-(1,1-dioxothian-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025549
2-(2-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 115983959
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877542
2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79664163
[1-cyclohexyl-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105201792
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 79658844
[1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105260156
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876393

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 82876253) is 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)C1CN(C)CCCN1C.
What is the InChIKey of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is AAWYAGZXZIEWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-15-13(10-12-6-9-19(4)16-12)14-11-17(2)7-5-8-18(14)3/h6,9,13-15H,5,7-8,10-11H2,1-4H3.
What are the key properties of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82876253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).