2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine

C17H31N3 — CID 103014471

IUPAC2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine
SMILESCn1cc(CCC2(CNC(C)(C)C)CCCCC2)cn1
InChIInChI=1S/C17H31N3/c1-16(2,3)18-14-17(9-6-5-7-10-17)11-8-15-12-19-20(4)13-15/h12-13,18H,5-11,14H2,1-4H3
InChIKeyDFCYUALOAWNXEL-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.69
Rot. Bonds5

About 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine

2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 103014471) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine
PubChem CID103014471
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine
SMILESCn1cc(CCC2(CNC(C)(C)C)CCCCC2)cn1
InChIInChI=1S/C17H31N3/c1-16(2,3)18-14-17(9-6-5-7-10-17)11-8-15-12-19-20(4)13-15/h12-13,18H,5-11,14H2,1-4H3
InChIKeyDFCYUALOAWNXEL-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014465
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62723772
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025118
[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 103001877
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 112644082
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine (CID 103014471) is 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine is Cn1cc(CCC2(CNC(C)(C)C)CCCCC2)cn1.
What is the InChIKey of 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is DFCYUALOAWNXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-16(2,3)18-14-17(9-6-5-7-10-17)11-8-15-12-19-20(4)13-15/h12-13,18H,5-11,14H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 103014471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).