N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine

C17H31N3 — CID 81026099

IUPACN-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1ccn(C(C)C)n1
InChIInChI=1S/C17H31N3/c1-4-18-13-16-9-7-5-6-8-15(16)12-17-10-11-20(19-17)14(2)3/h10-11,14-16,18H,4-9,12-13H2,1-3H3
InChIKeyPOSUDGSAHKGWCA-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.81
Rot. Bonds6

About N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine

N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine (PubChem CID 81026099) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
PubChem CID81026099
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1ccn(C(C)C)n1
InChIInChI=1S/C17H31N3/c1-4-18-13-16-9-7-5-6-8-15(16)12-17-10-11-20(19-17)14(2)3/h10-11,14-16,18H,4-9,12-13H2,1-3H3
InChIKeyPOSUDGSAHKGWCA-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 64772657
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine
CID 82882248
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017300
N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64801340
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine
CID 64801922
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81026356

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine (CID 81026099) is N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1Cc1ccn(C(C)C)n1.
What is the InChIKey of N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine?
The InChIKey is POSUDGSAHKGWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-18-13-16-9-7-5-6-8-15(16)12-17-10-11-20(19-17)14(2)3/h10-11,14-16,18H,4-9,12-13H2,1-3H3.
What are the key properties of N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine?
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine has a molecular weight of 277.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81026099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).