1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine

C14H27N5 — CID 79583598

IUPAC1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1c(C(CN)N2CCCC(N(C)C)C2)cnn1C
InChIInChI=1S/C14H27N5/c1-11-13(9-16-18(11)4)14(8-15)19-7-5-6-12(10-19)17(2)3/h9,12,14H,5-8,10,15H2,1-4H3
InChIKeyDUMKJDBYKDDXLW-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.75
Rot. Bonds4

About 1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine

1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 79583598) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine
PubChem CID79583598
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1c(C(CN)N2CCCC(N(C)C)C2)cnn1C
InChIInChI=1S/C14H27N5/c1-11-13(9-16-18(11)4)14(8-15)19-7-5-6-12(10-19)17(2)3/h9,12,14H,5-8,10,15H2,1-4H3
InChIKeyDUMKJDBYKDDXLW-UHFFFAOYSA-N
XLogP0.75
TPSA50.32 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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199449
2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 79578678
2-(1,5-dimethylpyrazol-4-yl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 79584620
1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83089837
2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 103531830
1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
CID 115524400
1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83090688
1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 103569603
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 79983177
1-[2-amino-1-(3-propylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 66132201
1-(1-amino-3-methoxypropan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 103226846

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine (CID 79583598) is 1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine is Cc1c(C(CN)N2CCCC(N(C)C)C2)cnn1C.
What is the InChIKey of 1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is DUMKJDBYKDDXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11-13(9-16-18(11)4)14(8-15)19-7-5-6-12(10-19)17(2)3/h9,12,14H,5-8,10,15H2,1-4H3.
What are the key properties of 1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine?
1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 265.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 79583598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).