2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine

C18H33N3 — CID 81027054

IUPAC2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCC1Cc1ccn(C(C)C)n1
InChIInChI=1S/C18H33N3/c1-14(2)12-19-13-17-8-6-5-7-16(17)11-18-9-10-21(20-18)15(3)4/h9-10,14-17,19H,5-8,11-13H2,1-4H3
InChIKeySDTYRTPSEMUOTB-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.06
Rot. Bonds7

About 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine

2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 81027054) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID81027054
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCC1Cc1ccn(C(C)C)n1
InChIInChI=1S/C18H33N3/c1-14(2)12-19-13-17-8-6-5-7-16(17)11-18-9-10-21(20-18)15(3)4/h9-10,14-17,19H,5-8,11-13H2,1-4H3
InChIKeySDTYRTPSEMUOTB-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099
2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 64772657
2-methyl-N-[[2-(pyridin-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81028060
N-[[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027589
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821
4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190389
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine (CID 81027054) is 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine is CC(C)CNCC1CCCCC1Cc1ccn(C(C)C)n1.
What is the InChIKey of 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is SDTYRTPSEMUOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-14(2)12-19-13-17-8-6-5-7-16(17)11-18-9-10-21(20-18)15(3)4/h9-10,14-17,19H,5-8,11-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81027054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).