2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine

C16H29N5 — CID 81199449

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
SMILESCc1c(C(CN)N2CCC3C(CCCN3C)C2)cnn1C
InChIInChI=1S/C16H29N5/c1-12-14(10-18-20(12)3)16(9-17)21-8-6-15-13(11-21)5-4-7-19(15)2/h10,13,15-16H,4-9,11,17H2,1-3H3
InChIKeyOHXKJHTZVXYSRM-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.14
Rot. Bonds3

About 2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine

2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine (PubChem CID 81199449) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
PubChem CID81199449
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
SMILESCc1c(C(CN)N2CCC3C(CCCN3C)C2)cnn1C
InChIInChI=1S/C16H29N5/c1-12-14(10-18-20(12)3)16(9-17)21-8-6-15-13(11-21)5-4-7-19(15)2/h10,13,15-16H,4-9,11,17H2,1-3H3
InChIKeyOHXKJHTZVXYSRM-UHFFFAOYSA-N
XLogP1.14
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine
CID 79583598
2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199156
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 81198317
2-(1,5-dimethylpyrazol-4-yl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 79584620
2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 79578678
2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199314
2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 103531830
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
CID 104711109
3-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-amine
CID 81198022
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)octan-1-amine
CID 81198327
2-(2,5-dimethylmorpholin-4-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 79579017
N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine
CID 81206388

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
The IUPAC name of 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) is 2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine is Cc1c(C(CN)N2CCC3C(CCCN3C)C2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
The InChIKey is OHXKJHTZVXYSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12-14(10-18-20(12)3)16(9-17)21-8-6-15-13(11-21)5-4-7-19(15)2/h10,13,15-16H,4-9,11,17H2,1-3H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine is sourced from PubChem (CID 81199449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).