4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine

C17H31N3 — CID 103859312

IUPAC4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine
SMILESCc1c(CNC2CCCC(C(C)(C)C)CC2)cnn1C
InChIInChI=1S/C17H31N3/c1-13-14(12-19-20(13)5)11-18-16-8-6-7-15(9-10-16)17(2,3)4/h12,15-16,18H,6-11H2,1-5H3
InChIKeyJRQGOSCBBFONMO-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.81
Rot. Bonds3

About 4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine

4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine (PubChem CID 103859312) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine
PubChem CID103859312
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine
SMILESCc1c(CNC2CCCC(C(C)(C)C)CC2)cnn1C
InChIInChI=1S/C17H31N3/c1-13-14(12-19-20(13)5)11-18-16-8-6-7-15(9-10-16)17(2,3)4/h12,15-16,18H,6-11H2,1-5H3
InChIKeyJRQGOSCBBFONMO-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 102795070
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 115702967
tert-butyl N-[(1S,3S)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexyl]carbamate
CID 99630915
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 79578467
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 65089500
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79578518
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
CID 79578616
4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 62845689
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine
CID 130693971
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 75515471
(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine (CID 103859312) is 4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine is Cc1c(CNC2CCCC(C(C)(C)C)CC2)cnn1C.
What is the InChIKey of 4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine?
The InChIKey is JRQGOSCBBFONMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13-14(12-19-20(13)5)11-18-16-8-6-7-15(9-10-16)17(2,3)4/h12,15-16,18H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine?
4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 103859312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).