1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine

C15H29N5 — CID 79304553

IUPAC1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine
SMILESCCC(N)C(c1cnn(C)c1)N(C)CC1CCCN1C
InChIInChI=1S/C15H29N5/c1-5-14(16)15(12-9-17-20(4)10-12)19(3)11-13-7-6-8-18(13)2/h9-10,13-15H,5-8,11,16H2,1-4H3
InChIKeyGXUAQGCGIQKXJM-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.22
Rot. Bonds6

About 1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine

1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine (PubChem CID 79304553) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine
PubChem CID79304553
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine
SMILESCCC(N)C(c1cnn(C)c1)N(C)CC1CCCN1C
InChIInChI=1S/C15H29N5/c1-5-14(16)15(12-9-17-20(4)10-12)19(3)11-13-7-6-8-18(13)2/h9-10,13-15H,5-8,11,16H2,1-4H3
InChIKeyGXUAQGCGIQKXJM-UHFFFAOYSA-N
XLogP1.22
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine
CID 79304730
1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
CID 62333824
1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-(1-methylsulfanylpropan-2-yl)butane-1,2-diamine
CID 112657725
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 102725549
6-[(1S)-1-aminopropyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 103937477
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 115990041
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 83088852
1-(4-ethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303979
1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 63171805
1-(3,5-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303428
1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054396
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine (CID 79304553) is 1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine is CCC(N)C(c1cnn(C)c1)N(C)CC1CCCN1C.
What is the InChIKey of 1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine?
The InChIKey is GXUAQGCGIQKXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-14(16)15(12-9-17-20(4)10-12)19(3)11-13-7-6-8-18(13)2/h9-10,13-15H,5-8,11,16H2,1-4H3.
What are the key properties of 1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine?
1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine has a molecular weight of 279.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 79304553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).