1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine

C16H31N5 — CID 103011971

IUPAC1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)C1CN(C)CCCN1C
InChIInChI=1S/C16H31N5/c1-5-17-15(8-7-14-11-18-21(4)12-14)16-13-19(2)9-6-10-20(16)3/h11-12,15-17H,5-10,13H2,1-4H3
InChIKeyRAHTUYZMABKJKW-UHFFFAOYSA-N
MW293.46 g/mol
LogP0.97
Rot. Bonds6

About 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103011971) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103011971
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)C1CN(C)CCCN1C
InChIInChI=1S/C16H31N5/c1-5-17-15(8-7-14-11-18-21(4)12-14)16-13-19(2)9-6-10-20(16)3/h11-12,15-17H,5-10,13H2,1-4H3
InChIKeyRAHTUYZMABKJKW-UHFFFAOYSA-N
XLogP0.97
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011331
1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011964
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine
CID 79658524
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79658853
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 103030299
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-phenylpropyl]hydrazine
CID 105261185
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107191671
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
CID 103009843

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103011971) is 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine is CCNC(CCc1cnn(C)c1)C1CN(C)CCCN1C.
What is the InChIKey of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is RAHTUYZMABKJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-17-15(8-7-14-11-18-21(4)12-14)16-13-19(2)9-6-10-20(16)3/h11-12,15-17H,5-10,13H2,1-4H3.
What are the key properties of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 0.97, 6 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-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103011971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).